 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer07_B3LYPDBJ-def2SVPDr.in
 Output=26_junionone_conformer07_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            ****
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            P    1   1.00
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/26_junionone/Gau-259167.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/26_junionone/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    259180.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                26-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=26_junionone_conformer07_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Sun Sep 26 19:47:34 2021, MaxMem=  6442450944 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer07_B3LYPDBJ-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.753212000000      0.261201000000      1.693960000000
  C                                                -1.991275000000      0.379275000000      0.192703000000
  C                                                -0.849009000000     -0.284062000000     -0.673672000000
  C                                                 0.523957000000     -0.362760000000     -0.129190000000
  C                                                 1.600074000000      0.202273000000     -0.683932000000
  C                                                 2.971335000000      0.145334000000     -0.139740000000
  O                                                 3.879212000000      0.705568000000     -0.725256000000
  C                                                -2.328795000000      1.809261000000     -0.188051000000
  C                                                -2.945679000000     -0.733150000000     -0.326549000000
  C                                                -1.715204000000     -1.570236000000     -0.737989000000
  C                                                 3.228267000000     -0.612295000000      1.146957000000
  H                                                -3.520012000000     -0.399442000000     -1.191692000000
  H                                                -3.631250000000     -1.169043000000      0.400509000000
  H                                                -0.830366000000      0.203561000000     -1.650261000000
  H                                                -1.427501000000     -2.287210000000      0.031723000000
  H                                                -1.746461000000     -2.086631000000     -1.696096000000
  H                                                -1.522157000000     -0.762423000000      1.994493000000
  H                                                -2.649402000000      0.568790000000      2.237355000000
  H                                                -0.929068000000      0.901723000000      2.015625000000
  H                                                -2.519952000000      1.897738000000     -1.259237000000
  H                                                -1.507307000000      2.484467000000      0.065367000000
  H                                                -3.220245000000      2.153813000000      0.342854000000
  H                                                 0.639748000000     -0.919587000000      0.795696000000
  H                                                 1.514703000000      0.761846000000     -1.609834000000
  H                                                 2.945548000000     -1.661881000000      1.042967000000
  H                                                 2.641207000000     -0.194560000000      1.967518000000
  H                                                 4.286065000000     -0.544744000000      1.388076000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Sun Sep 26 19:47:34 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.753212    0.261201    1.693960
      2          6           0       -1.991275    0.379275    0.192703
      3          6           0       -0.849009   -0.284062   -0.673672
      4          6           0        0.523957   -0.362760   -0.129190
      5          6           0        1.600074    0.202273   -0.683932
      6          6           0        2.971335    0.145334   -0.139740
      7          8           0        3.879212    0.705568   -0.725256
      8          6           0       -2.328795    1.809261   -0.188051
      9          6           0       -2.945679   -0.733150   -0.326549
     10          6           0       -1.715204   -1.570236   -0.737989
     11          6           0        3.228267   -0.612295    1.146957
     12          1           0       -3.520012   -0.399442   -1.191692
     13          1           0       -3.631250   -1.169043    0.400509
     14          1           0       -0.830366    0.203561   -1.650261
     15          1           0       -1.427501   -2.287210    0.031723
     16          1           0       -1.746461   -2.086631   -1.696096
     17          1           0       -1.522157   -0.762423    1.994493
     18          1           0       -2.649402    0.568790    2.237355
     19          1           0       -0.929068    0.901723    2.015625
     20          1           0       -2.519952    1.897738   -1.259237
     21          1           0       -1.507307    2.484467    0.065367
     22          1           0       -3.220245    2.153813    0.342854
     23          1           0        0.639748   -0.919587    0.795696
     24          1           0        1.514703    0.761846   -1.609834
     25          1           0        2.945548   -1.661881    1.042967
     26          1           0        2.641207   -0.194560    1.967518
     27          1           0        4.286065   -0.544744    1.388076
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.524594   0.000000
     3  C    2.592407   1.579681   0.000000
     4  C    2.983069   2.642087   1.479084   0.000000
     5  C    4.111249   3.701028   2.496925   1.336050   0.000000
     6  C    5.069243   4.979231   3.881300   2.499586   1.476396
     7  O    6.146077   5.950776   4.830953   3.571324   2.334413
     8  C    2.503947   1.517812   2.609137   3.585991   4.273678
     9  C    2.548170   1.554992   2.172142   3.494927   4.654741
    10  C    3.044665   2.177842   1.551990   2.615813   3.759758
    11  C    5.086978   5.397910   4.477344   3.000685   2.581993
    12  H    3.447466   2.204538   2.723218   4.181380   5.180267
    13  H    2.691773   2.264948   3.110936   4.265726   5.515729
    14  H    3.469695   2.185201   1.091719   2.113899   2.615498
    15  H    3.059987   2.730183   2.201099   2.745467   3.984457
    16  H    4.123693   3.115797   2.258324   3.252956   4.178858
    17  H    1.091564   2.184031   2.793038   2.975961   4.225272
    18  H    1.092266   2.156304   3.527442   4.066759   5.169748
    19  H    1.092223   2.173541   2.940206   2.882782   3.764757
    20  H    3.462299   2.166416   2.809838   3.956291   4.492237
    21  H    2.766893   2.163856   2.940117   3.502940   3.927553
    22  H    2.749482   2.163769   3.549552   4.535969   5.300780
    23  H    2.815563   2.995484   2.186168   1.085761   2.090477
    24  H    4.673860   3.960730   2.749083   2.106804   1.085221
    25  H    5.118631   5.409389   4.386787   2.987603   2.875335
    26  H    4.426451   4.993911   4.377842   2.984497   2.876043
    27  H    6.100490   6.456603   5.539652   4.060624   3.473586
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.216935   0.000000
     8  C    5.555391   6.328197   0.000000
     9  C    5.984788   6.986273   2.619844   0.000000
    10  C    5.026403   6.039614   3.478495   1.544042   0.000000
    11  C    1.515125   2.380268   6.207022   6.348499   5.376670
    12  H    6.598558   7.495807   2.702714   1.090730   2.198622
    13  H    6.753783   7.822311   3.303496   1.090240   2.264590
    14  H    4.091209   4.825740   2.638488   2.665369   2.182094
    15  H    5.029555   6.139295   4.200203   2.201891   1.090542
    16  H    5.446238   6.355085   4.217972   2.268412   1.088857
    17  H    5.056723   6.223088   3.468101   2.722959   2.855921
    18  H    6.117400   7.170675   2.743019   2.890749   3.781644
    19  H    4.520052   5.538092   2.763883   3.496471   3.782986
    20  H    5.871833   6.531134   1.091700   2.823601   3.598078
    21  H    5.056861   5.727491   1.093145   3.546205   4.138746
    22  H    6.527063   7.323972   1.093279   2.976246   4.159557
    23  H    2.728625   3.930464   4.150496   3.761579   2.884672
    24  H    2.159407   2.525183   4.229778   4.876150   4.078115
    25  H    2.159974   3.098896   6.432956   6.119205   4.990272
    26  H    2.159872   3.097405   5.776045   6.063507   5.309479
    27  H    2.130480   2.488972   7.195963   7.434619   6.448800
                   11         12         13         14         15
    11  C    0.000000
    12  H    7.145198   0.000000
    13  H    6.922436   1.771938   0.000000
    14  H    4.996254   2.794297   3.732914   0.000000
    15  H    5.072008   3.072298   2.498562   3.064242   0.000000
    16  H    5.916463   2.499303   2.964819   2.467045   1.768425
    17  H    4.827772   3.778221   2.674771   3.833527   2.487248
    18  H    6.093515   3.667942   2.712580   4.307649   3.809802
    19  H    4.508910   4.323529   3.768084   3.733081   3.788614
    20  H    6.718040   2.506336   3.659902   2.424425   4.513736
    21  H    5.760680   3.734717   4.239291   2.933285   4.772463
    22  H    7.062665   2.993961   3.348675   3.672535   4.799314
    23  H    2.630255   4.639382   4.296490   3.066823   2.593755
    24  H    3.524835   5.183801   5.852405   2.410947   4.544009
    25  H    1.091959   6.956358   6.626456   4.999088   4.531800
    26  H    1.091999   6.926991   6.538261   5.029776   4.967985
    27  H    1.087032   8.222600   8.003057   5.997443   6.125416
                   16         17         18         19         20
    16  H    0.000000
    17  H    3.927377   0.000000
    18  H    4.831004   1.761190   0.000000
    19  H    4.834797   1.766800   1.766227   0.000000
    20  H    4.082197   4.319585   3.742862   3.774610   0.000000
    21  H    4.904578   3.776777   3.113155   2.577391   1.767562
    22  H    4.930590   3.757106   2.535211   3.100868   1.767111
    23  H    3.642116   2.477024   3.887435   2.695660   4.705717
    24  H    4.330872   4.953492   5.672557   4.374418   4.206140
    25  H    5.449571   4.655622   6.140515   4.746660   6.916843
    26  H    6.021099   4.201999   5.352201   3.735106   6.436398
    27  H    6.948446   5.843849   7.075446   5.448275   7.700380
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.766490   0.000000
    23  H    4.090331   4.954836   0.000000
    24  H    3.860863   5.307570   3.062570   0.000000
    25  H    6.162453   7.284688   2.434924   3.867703   0.000000
    26  H    5.292025   6.520047   2.429952   3.870552   1.760809
    27  H    6.669995   8.044836   3.713092   4.286617   1.778786
                   26         27
    26  H    0.000000
    27  H    1.778747   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.14D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.753212    0.261201    1.693960
      2          6           0       -1.991275    0.379275    0.192703
      3          6           0       -0.849009   -0.284062   -0.673672
      4          6           0        0.523957   -0.362760   -0.129190
      5          6           0        1.600074    0.202273   -0.683932
      6          6           0        2.971335    0.145334   -0.139740
      7          8           0        3.879212    0.705568   -0.725256
      8          6           0       -2.328795    1.809261   -0.188051
      9          6           0       -2.945679   -0.733150   -0.326549
     10          6           0       -1.715204   -1.570236   -0.737989
     11          6           0        3.228267   -0.612295    1.146957
     12          1           0       -3.520012   -0.399442   -1.191692
     13          1           0       -3.631250   -1.169043    0.400509
     14          1           0       -0.830366    0.203561   -1.650261
     15          1           0       -1.427501   -2.287210    0.031723
     16          1           0       -1.746461   -2.086631   -1.696096
     17          1           0       -1.522157   -0.762423    1.994493
     18          1           0       -2.649402    0.568790    2.237355
     19          1           0       -0.929068    0.901723    2.015625
     20          1           0       -2.519952    1.897738   -1.259237
     21          1           0       -1.507307    2.484467    0.065367
     22          1           0       -3.220245    2.153813    0.342854
     23          1           0        0.639748   -0.919587    0.795696
     24          1           0        1.514703    0.761846   -1.609834
     25          1           0        2.945548   -1.661881    1.042967
     26          1           0        2.641207   -0.194560    1.967518
     27          1           0        4.286065   -0.544744    1.388076
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.1384318           0.4996663           0.4923175
 Leave Link  202 at Sun Sep 26 19:47:34 2021, MaxMem=  6442450944 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   373 symmetry adapted cartesian basis functions of A   symmetry.
 There are   351 symmetry adapted basis functions of A   symmetry.
   351 basis functions,   515 primitive gaussians,   373 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       608.1382990542 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0452189464 Hartrees.
 Nuclear repulsion after empirical dispersion term =      608.0930801077 Hartrees.
 Leave Link  301 at Sun Sep 26 19:47:35 2021, MaxMem=  6442450944 cpu:               4.5 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   351 RedAO= T EigKep=  1.80D-05  NBF=   351
 NBsUse=   351 1.00D-06 EigRej= -1.00D+00 NBFU=   351
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   373   373   373   373   373 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Sun Sep 26 19:47:36 2021, MaxMem=  6442450944 cpu:               3.1 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Sun Sep 26 19:47:36 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer07_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Sun Sep 26 19:47:36 2021, MaxMem=  6442450944 cpu:               2.8 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6442165951 LenY=  6442026381
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 960000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.620155140806    
 DIIS: error= 3.05D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.620155140806     IErMin= 1 ErrMin= 3.05D-03
 ErrMax= 3.05D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.08D-03 BMatP= 8.08D-03
 IDIUse=3 WtCom= 9.70D-01 WtEn= 3.05D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.189 Goal=   None    Shift=    0.000
 GapD=    0.189 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.19D-02 MaxDP=1.02D+00              OVMax= 1.69D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.94D-03    CP:  1.30D+00
 E= -465.627278603200     Delta-E=       -0.007123462394 Rises=F Damp=F
 DIIS: error= 6.94D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.627278603200     IErMin= 2 ErrMin= 6.94D-04
 ErrMax= 6.94D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.69D-04 BMatP= 8.08D-03
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.94D-03
 Coeff-Com:  0.367D-01 0.963D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.364D-01 0.964D+00
 Gap=     0.194 Goal=   None    Shift=    0.000
 RMSDP=5.32D-04 MaxDP=5.28D-02 DE=-7.12D-03 OVMax= 8.98D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.40D-04    CP:  1.32D+00  1.04D+00
 E= -465.626923852403     Delta-E=        0.000354750797 Rises=F Damp=F
 DIIS: error= 1.24D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -465.627278603200     IErMin= 2 ErrMin= 6.94D-04
 ErrMax= 1.24D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.52D-04 BMatP= 2.69D-04
 IDIUse=3 WtCom= 2.21D-01 WtEn= 7.79D-01
 Coeff-Com: -0.116D-01 0.635D+00 0.376D+00
 Coeff-En:   0.000D+00 0.688D+00 0.312D+00
 Coeff:     -0.256D-02 0.676D+00 0.326D+00
 Gap=     0.190 Goal=   None    Shift=    0.000
 RMSDP=1.31D-04 MaxDP=7.70D-03 DE= 3.55D-04 OVMax= 6.30D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.06D-04    CP:  1.32D+00  1.04D+00  6.89D-01
 E= -465.627503218774     Delta-E=       -0.000579366371 Rises=F Damp=F
 DIIS: error= 1.79D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.627503218774     IErMin= 4 ErrMin= 1.79D-04
 ErrMax= 1.79D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.56D-05 BMatP= 2.69D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.79D-03
 Coeff-Com: -0.905D-02 0.323D+00 0.173D+00 0.513D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.903D-02 0.323D+00 0.172D+00 0.514D+00
 Gap=     0.190 Goal=   None    Shift=    0.000
 RMSDP=4.17D-05 MaxDP=1.82D-03 DE=-5.79D-04 OVMax= 7.13D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.97D-05    CP:  1.32D+00  1.04D+00  5.99D-01  8.82D-01
 E= -465.627519782606     Delta-E=       -0.000016563832 Rises=F Damp=F
 DIIS: error= 3.02D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.627519782606     IErMin= 5 ErrMin= 3.02D-05
 ErrMax= 3.02D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.93D-07 BMatP= 1.56D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.191D-02 0.381D-01 0.248D-01 0.142D+00 0.797D+00
 Coeff:     -0.191D-02 0.381D-01 0.248D-01 0.142D+00 0.797D+00
 Gap=     0.190 Goal=   None    Shift=    0.000
 RMSDP=1.26D-05 MaxDP=6.63D-04 DE=-1.66D-05 OVMax= 2.76D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.80D-06    CP:  1.32D+00  1.04D+00  6.13D-01  8.69D-01  8.84D-01
 E= -465.627520020777     Delta-E=       -0.000000238171 Rises=F Damp=F
 DIIS: error= 1.60D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.627520020777     IErMin= 6 ErrMin= 1.60D-05
 ErrMax= 1.60D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.84D-07 BMatP= 3.93D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.598D-03 0.338D-02 0.486D-02 0.536D-01 0.488D+00 0.451D+00
 Coeff:     -0.598D-03 0.338D-02 0.486D-02 0.536D-01 0.488D+00 0.451D+00
 Gap=     0.190 Goal=   None    Shift=    0.000
 RMSDP=4.22D-06 MaxDP=1.72D-04 DE=-2.38D-07 OVMax= 2.20D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.88D-06    CP:  1.32D+00  1.04D+00  6.13D-01  8.75D-01  9.04D-01
                    CP:  6.64D-01
 E= -465.627520206331     Delta-E=       -0.000000185554 Rises=F Damp=F
 DIIS: error= 2.51D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.627520206331     IErMin= 7 ErrMin= 2.51D-06
 ErrMax= 2.51D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.11D-09 BMatP= 1.84D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.172D-03-0.795D-03 0.716D-03 0.161D-01 0.185D+00 0.230D+00
 Coeff-Com:  0.569D+00
 Coeff:     -0.172D-03-0.795D-03 0.716D-03 0.161D-01 0.185D+00 0.230D+00
 Coeff:      0.569D+00
 Gap=     0.190 Goal=   None    Shift=    0.000
 RMSDP=9.32D-07 MaxDP=4.12D-05 DE=-1.86D-07 OVMax= 5.71D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.42D-07    CP:  1.32D+00  1.04D+00  6.13D-01  8.77D-01  9.11D-01
                    CP:  6.58D-01  8.43D-01
 E= -465.627520212796     Delta-E=       -0.000000006465 Rises=F Damp=F
 DIIS: error= 1.05D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.627520212796     IErMin= 8 ErrMin= 1.05D-06
 ErrMax= 1.05D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.32D-09 BMatP= 7.11D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.219D-04-0.946D-03-0.210D-03 0.207D-02 0.447D-01 0.781D-01
 Coeff-Com:  0.341D+00 0.536D+00
 Coeff:     -0.219D-04-0.946D-03-0.210D-03 0.207D-02 0.447D-01 0.781D-01
 Coeff:      0.341D+00 0.536D+00
 Gap=     0.190 Goal=   None    Shift=    0.000
 RMSDP=2.72D-07 MaxDP=1.01D-05 DE=-6.47D-09 OVMax= 1.41D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.99D-07    CP:  1.32D+00  1.04D+00  6.13D-01  8.77D-01  9.12D-01
                    CP:  6.61D-01  8.58D-01  7.69D-01
 E= -465.627520214097     Delta-E=       -0.000000001301 Rises=F Damp=F
 DIIS: error= 1.75D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.627520214097     IErMin= 9 ErrMin= 1.75D-07
 ErrMax= 1.75D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.02D-11 BMatP= 1.32D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.386D-05-0.327D-03-0.114D-03-0.411D-03 0.444D-02 0.144D-01
 Coeff-Com:  0.954D-01 0.220D+00 0.666D+00
 Coeff:      0.386D-05-0.327D-03-0.114D-03-0.411D-03 0.444D-02 0.144D-01
 Coeff:      0.954D-01 0.220D+00 0.666D+00
 Gap=     0.190 Goal=   None    Shift=    0.000
 RMSDP=7.51D-08 MaxDP=1.99D-06 DE=-1.30D-09 OVMax= 1.45D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.37D-08    CP:  1.32D+00  1.04D+00  6.13D-01  8.77D-01  9.11D-01
                    CP:  6.64D-01  8.59D-01  7.77D-01  7.71D-01
 E= -465.627520214139     Delta-E=       -0.000000000042 Rises=F Damp=F
 DIIS: error= 5.55D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.627520214139     IErMin=10 ErrMin= 5.55D-08
 ErrMax= 5.55D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.68D-12 BMatP= 4.02D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.320D-05-0.106D-03-0.326D-04-0.335D-03-0.434D-03 0.237D-02
 Coeff-Com:  0.258D-01 0.738D-01 0.316D+00 0.583D+00
 Coeff:      0.320D-05-0.106D-03-0.326D-04-0.335D-03-0.434D-03 0.237D-02
 Coeff:      0.258D-01 0.738D-01 0.316D+00 0.583D+00
 Gap=     0.190 Goal=   None    Shift=    0.000
 RMSDP=1.97D-08 MaxDP=1.32D-06 DE=-4.23D-11 OVMax= 3.60D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.37D-08    CP:  1.32D+00  1.04D+00  6.13D-01  8.77D-01  9.11D-01
                    CP:  6.64D-01  8.60D-01  7.77D-01  7.92D-01  7.81D-01
 E= -465.627520214178     Delta-E=       -0.000000000039 Rises=F Damp=F
 DIIS: error= 1.00D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.627520214178     IErMin=11 ErrMin= 1.00D-08
 ErrMax= 1.00D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.73D-13 BMatP= 3.68D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.923D-06-0.180D-04 0.548D-06-0.106D-03-0.440D-03-0.122D-05
 Coeff-Com:  0.359D-02 0.137D-01 0.770D-01 0.227D+00 0.679D+00
 Coeff:      0.923D-06-0.180D-04 0.548D-06-0.106D-03-0.440D-03-0.122D-05
 Coeff:      0.359D-02 0.137D-01 0.770D-01 0.227D+00 0.679D+00
 Gap=     0.190 Goal=   None    Shift=    0.000
 RMSDP=4.65D-09 MaxDP=1.81D-07 DE=-3.89D-11 OVMax= 7.95D-08

 SCF Done:  E(RB3LYP) =  -465.627520214     A.U. after   11 cycles
            NFock= 11  Conv=0.46D-08     -V/T= 2.0116
 KE= 4.602716499788D+02 PE=-2.294116270326D+03 EE= 7.601240200254D+02
 Leave Link  502 at Sun Sep 26 19:49:29 2021, MaxMem=  6442450944 cpu:             900.8 elap:             112.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   351
 NBasis=   351 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    351 NOA=    42 NOB=    42 NVA=   309 NVB=   309

 **** Warning!!: The largest alpha MO coefficient is  0.44135086D+02

 Leave Link  801 at Sun Sep 26 19:49:29 2021, MaxMem=  6442450944 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8180 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.16D-13 8.33D-09 XBig12= 1.00D+00 7.37D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.16D-13 8.33D-09 XBig12= 2.55D-01 9.36D-02.
     11 vectors produced by pass  2 Test12= 2.16D-13 8.33D-09 XBig12= 5.49D-02 7.83D-02.
     11 vectors produced by pass  3 Test12= 2.16D-13 8.33D-09 XBig12= 6.35D-03 2.25D-02.
     11 vectors produced by pass  4 Test12= 2.16D-13 8.33D-09 XBig12= 6.65D-04 6.31D-03.
     11 vectors produced by pass  5 Test12= 2.16D-13 8.33D-09 XBig12= 3.54D-05 7.83D-04.
     11 vectors produced by pass  6 Test12= 2.16D-13 8.33D-09 XBig12= 7.32D-07 1.07D-04.
     11 vectors produced by pass  7 Test12= 2.16D-13 8.33D-09 XBig12= 1.29D-08 1.28D-05.
     11 vectors produced by pass  8 Test12= 2.16D-13 8.33D-09 XBig12= 1.57D-10 2.11D-06.
      9 vectors produced by pass  9 Test12= 2.16D-13 8.33D-09 XBig12= 1.78D-12 2.69D-07.
      4 vectors produced by pass 10 Test12= 2.16D-13 8.33D-09 XBig12= 1.95D-14 3.72D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   112 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.175843D+03
      2  0.862174D+01  0.111304D+03
      3 -0.388703D+01 -0.460051D+01  0.112360D+03
 Isotropic polarizability for W=    0.085645      133.17 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.923535D+02  0.495848D+02 -0.182493D+02
      2  -0.634189D+02 -0.355604D+02 -0.155038D+02
      3  -0.289345D+02 -0.140244D+02  0.337531D+02
      4   0.432407D+02 -0.864418D+02 -0.548059D+02
      5  -0.115581D+02 -0.574684D+02 -0.402448D+02
      6  -0.322059D+02  0.122902D+01  0.322675D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.719962D+01  0.102526D+02  0.293716D+01
      2   0.216531D+02 -0.165200D+02 -0.205514D+02
      3  -0.318915D+02  0.386390D+02  0.232559D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.266250D+01  0.167328D+02 -0.172512D+02
      2  -0.669125D+01 -0.226000D+02 -0.113102D+02
      3  -0.634419D+01  0.230229D+02  0.252625D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.270232D+01 -0.672123D+01  0.428916D+01
      2  -0.672123D+01  0.237814D+01 -0.305783D+01
      3   0.428916D+01 -0.305783D+01 -0.554418D+01
 OR G Eigenvalues:    -7.3768    -4.0009    10.9140  Iso=     0.1546
 Eigenvectors:
   (1)  -0.371610   0.034770   0.927738
   (2)   0.617429   0.755528   0.218998
   (3)   0.693317  -0.654194   0.302230
 w=    0.085645 a.u., Optical Rotation Beta=      0.1546 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =       48.16 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   61776 ScalPx= 4.75D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.60D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.60D-14 2.78D-09 XBig12= 1.00D+00 6.26D-01.
     30 vectors produced by pass  1 Test12= 3.60D-14 2.78D-09 XBig12= 3.36D-02 4.07D-02.
     30 vectors produced by pass  2 Test12= 3.60D-14 2.78D-09 XBig12= 1.58D-03 7.08D-03.
     30 vectors produced by pass  3 Test12= 3.60D-14 2.78D-09 XBig12= 2.85D-05 6.28D-04.
     30 vectors produced by pass  4 Test12= 3.60D-14 2.78D-09 XBig12= 4.05D-07 5.82D-05.
     30 vectors produced by pass  5 Test12= 3.60D-14 2.78D-09 XBig12= 2.74D-09 5.46D-06.
     30 vectors produced by pass  6 Test12= 3.60D-14 2.78D-09 XBig12= 1.15D-11 3.00D-07.
     12 vectors produced by pass  7 Test12= 3.60D-14 2.78D-09 XBig12= 2.50D-14 1.80D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.44D-15
 Solved reduced A of dimension   222 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 2.40D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 2.40D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.51D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.175843D+03  0.862174D+01 -0.388703D+01
      2   0.862174D+01  0.111304D+03 -0.460051D+01
      3  -0.388703D+01 -0.460051D+01  0.112360D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.719962D+01  0.102526D+02  0.293716D+01
      2   0.216531D+02 -0.165200D+02 -0.205514D+02
      3  -0.318915D+02  0.386390D+02  0.232559D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.923535D+02  0.495848D+02 -0.182493D+02
      2  -0.634189D+02 -0.355604D+02 -0.155038D+02
      3  -0.289345D+02 -0.140244D+02  0.337531D+02
      4   0.432407D+02 -0.864418D+02 -0.548059D+02
      5  -0.115581D+02 -0.574684D+02 -0.402448D+02
      6  -0.322059D+02  0.122902D+01  0.322675D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.362343D+01 -0.332884D+01 -0.516340D+01 -0.409298D+01 -0.244801D+01
      2  -0.332884D+01 -0.233686D+01  0.166064D+00 -0.244801D+01  0.351597D+01
      3  -0.516340D+01  0.166064D+00  0.208628D+01  0.458794D+00 -0.333964D+01
                 6             7             8             9            10 
      1   0.458794D+00 -0.418441D+01  0.568225D+00  0.225074D+01 -0.265931D+02
      2  -0.333964D+01  0.568225D+00 -0.250076D+01 -0.134544D+01  0.544977D+01
      3  -0.103878D+01  0.225074D+01 -0.134544D+01  0.267599D+01  0.595679D+01
                11            12            13            14            15 
      1   0.544977D+01  0.595679D+01  0.823406D+01  0.243165D-01 -0.117679D+01
      2   0.203250D+01 -0.222129D-01  0.243165D-01 -0.831562D+00  0.252749D+01
      3  -0.222129D-01 -0.245849D+01 -0.117679D+01  0.252749D+01  0.191743D+01
                16            17            18            19            20 
      1   0.189530D+02 -0.125669D+01 -0.447827D+01  0.532227D+02  0.184334D+01
      2  -0.125669D+01  0.324255D+01  0.259210D+01  0.184334D+01  0.398201D+01
      3  -0.447827D+01  0.259210D+01 -0.336378D+01 -0.291946D+01  0.164772D+01
                21            22            23            24            25 
      1  -0.291946D+01 -0.351085D+01  0.802083D+01  0.442732D+01 -0.811179D+01
      2   0.164772D+01  0.802083D+01  0.184933D+01  0.702594D+00  0.336513D+01
      3   0.156644D+01  0.442732D+01  0.702594D+00 -0.406728D+01  0.300453D+01
                26            27            28            29            30 
      1   0.336513D+01  0.300453D+01 -0.661768D+02 -0.627911D+01  0.331123D+01
      2   0.360664D+00 -0.343326D+01 -0.627911D+01 -0.335701D+01 -0.381248D+00
      3  -0.343326D+01  0.288684D+01  0.331123D+01 -0.381248D+00 -0.217052D+01
                31            32            33            34            35 
      1  -0.149219D+02 -0.674763D+01 -0.968305D+00  0.822899D+01  0.145944D+00
      2  -0.674763D+01 -0.384146D+01 -0.125753D+01  0.145944D+00 -0.696448D+00
      3  -0.968305D+00 -0.125753D+01  0.214335D+01 -0.446204D+01  0.196843D+01
                36            37            38            39            40 
      1  -0.446204D+01  0.615582D+02  0.863616D+01 -0.479405D+01  0.154727D+02
      2   0.196843D+01  0.863616D+01  0.266242D+01  0.174992D+00  0.530392D+01
      3  -0.150229D+01 -0.479405D+01  0.174992D+00  0.960946D+00  0.203163D+00
                41            42            43            44            45 
      1   0.530392D+01  0.203163D+00 -0.755726D+01  0.446074D-01  0.335311D+01
      2   0.291262D+01  0.983529D+00  0.446074D-01  0.508469D+00 -0.296022D+01
      3   0.983529D+00 -0.323667D+01  0.335311D+01 -0.296022D+01  0.162793D+01
                46            47            48            49            50 
      1  -0.458598D+02 -0.880354D+01  0.503812D+01 -0.131976D+02 -0.298385D+01
      2  -0.880354D+01 -0.182455D+01  0.160400D+01 -0.298385D+01 -0.989865D+00
      3   0.503812D+01  0.160400D+01 -0.843341D+00  0.236056D+01 -0.313036D+00
                51            52            53            54            55 
      1   0.236056D+01  0.642480D+01  0.254123D+01 -0.158388D+01  0.398329D+02
      2  -0.313036D+00  0.254123D+01  0.131339D+00  0.140479D+01  0.723455D+01
      3   0.142853D+01 -0.158388D+01  0.140479D+01 -0.177162D+01 -0.485222D+01
                56            57            58            59            60 
      1   0.723455D+01 -0.485222D+01  0.194083D+02  0.771480D+01 -0.135205D+01
      2   0.284165D+01 -0.124497D+01  0.771480D+01  0.504098D+01 -0.188369D+01
      3  -0.124497D+01  0.249525D+01 -0.135205D+01 -0.188369D+01  0.765589D+00
                61            62            63            64            65 
      1  -0.209616D+02 -0.338908D+01  0.550295D+01  0.856402D+01 -0.512437D+01
      2  -0.338908D+01 -0.141630D+01  0.163368D+01 -0.512437D+01 -0.204598D+01
      3   0.550295D+01  0.163368D+01 -0.386833D+01 -0.317428D+01  0.503311D+00
                66            67            68            69            70 
      1  -0.317428D+01 -0.454906D+01 -0.162019D+01  0.728176D+00 -0.726319D+01
      2   0.503311D+00 -0.162019D+01  0.412228D+00 -0.229719D+01  0.103667D+01
      3   0.210418D+01  0.728176D+00 -0.229719D+01 -0.101769D+01  0.295718D+01
                71            72            73            74            75 
      1   0.103667D+01  0.295718D+01  0.674490D+00  0.100546D+01 -0.544724D+00
      2  -0.247928D+01 -0.234812D+01  0.100546D+01 -0.300766D+01 -0.311093D+01
      3  -0.234812D+01  0.592770D+01 -0.544724D+00 -0.311093D+01  0.228379D+01
                76            77            78            79            80 
      1   0.167684D+01 -0.310943D+01 -0.444708D+01 -0.129517D+01 -0.421117D+01
      2  -0.310943D+01 -0.238773D+01 -0.137680D+01 -0.421117D+01 -0.180119D+01
      3  -0.444708D+01 -0.137680D+01 -0.119591D+01  0.358019D+01 -0.759466D+00
                81            82            83            84            85 
      1   0.358019D+01 -0.102012D+02 -0.704839D+01 -0.229117D+01 -0.907063D+01
      2  -0.759466D+00 -0.704839D+01 -0.274751D+01  0.985032D+00 -0.505254D+01
      3   0.143670D+01 -0.229117D+01  0.985032D+00 -0.339034D-01  0.201094D+00
                86            87            88            89            90 
      1  -0.505254D+01  0.201094D+00  0.540789D+01  0.216152D+01  0.546132D-01
      2   0.876308D+00  0.687166D-01  0.216152D+01  0.102770D+01  0.497916D+01
      3   0.687166D-01  0.367655D+01  0.546132D-01  0.497916D+01  0.214256D+01
                91            92            93            94            95 
      1  -0.955894D+01 -0.736255D+00 -0.285085D+01 -0.222833D+01  0.136597D+01
      2  -0.736255D+00  0.235021D+01 -0.310638D+00  0.136597D+01  0.445716D+01
      3  -0.285085D+01 -0.310638D+00  0.308153D+01 -0.811687D+00 -0.104981D+00
                96            97            98            99           100 
      1  -0.811687D+00 -0.971777D+00 -0.712779D+00  0.292972D+01 -0.518838D+01
      2  -0.104981D+00 -0.712779D+00  0.600667D+00 -0.218515D+01  0.211131D+00
      3  -0.252777D+01  0.292972D+01 -0.218515D+01 -0.405024D+00 -0.264354D+01
               101           102           103           104           105 
      1   0.211131D+00 -0.264354D+01  0.157615D+01 -0.838582D+00  0.130699D+01
      2  -0.636436D+00  0.431279D+00 -0.838582D+00  0.924199D+00 -0.647050D+00
      3   0.431279D+00 -0.235947D+01  0.130699D+01 -0.647050D+00  0.124865D+01
               106           107           108           109           110 
      1  -0.422768D+01  0.816968D+00 -0.377829D+01 -0.714464D+01 -0.243150D+01
      2   0.816968D+00 -0.124994D+01  0.307573D+00 -0.243150D+01 -0.138538D+01
      3  -0.377829D+01  0.307573D+00 -0.454280D+01  0.217288D+01  0.101066D+01
               111           112           113           114           115 
      1   0.217288D+01 -0.250932D+01 -0.202019D+01  0.128012D+01  0.493208D+01
      2   0.101066D+01 -0.202019D+01 -0.186514D+01  0.988979D+00  0.202081D+01
      3  -0.181272D+01  0.128012D+01  0.988979D+00 -0.807279D+00 -0.316782D+01
               116           117           118           119           120 
      1   0.202081D+01 -0.316782D+01  0.103201D+00  0.604828D+00 -0.715545D+00
      2   0.177961D+01 -0.102463D+01  0.604828D+00 -0.257614D+00 -0.258249D+00
      3  -0.102463D+01  0.248346D+01 -0.715545D+00 -0.258249D+00 -0.130862D-01
               121           122           123           124           125 
      1   0.206121D+01 -0.631357D+00 -0.633617D-01 -0.727041D+00  0.604784D-01
      2  -0.631357D+00  0.131120D+01 -0.137591D+01  0.604784D-01 -0.177612D+01
      3  -0.633617D-01 -0.137591D+01  0.221928D+01 -0.596316D+00  0.161076D+01
               126           127           128           129           130 
      1  -0.596316D+00  0.109513D+01 -0.320316D+00  0.686001D+00  0.102547D+00
      2   0.161076D+01 -0.320316D+00  0.163368D+01 -0.498308D+00  0.700436D+00
      3  -0.603401D+01  0.686001D+00 -0.498308D+00  0.533067D+00 -0.323823D+00
               131           132           133           134           135 
      1   0.700436D+00 -0.323823D+00  0.125447D+01 -0.359626D+00  0.144226D+00
      2  -0.541935D+01  0.165554D+01 -0.359626D+00  0.340153D+01 -0.225922D+01
      3   0.165554D+01 -0.174520D+01  0.144226D+00 -0.225922D+01  0.209034D+01
               136           137           138           139           140 
      1   0.143945D+01 -0.215785D+00 -0.729703D+00  0.183392D+01 -0.401101D+00
      2  -0.215785D+00  0.245560D+00 -0.125877D+00 -0.401101D+00 -0.446318D+01
      3  -0.729703D+00 -0.125877D+00 -0.540833D-01 -0.583472D+00 -0.292629D+01
               141           142           143           144           145 
      1  -0.583472D+00 -0.250679D+01 -0.144192D+01 -0.113949D+01  0.526834D+00
      2  -0.292629D+01 -0.144192D+01 -0.475706D+01 -0.485208D+01 -0.594721D+00
      3  -0.280963D+01 -0.113949D+01 -0.485208D+01 -0.626526D+01  0.904125D+00
               146           147           148           149           150 
      1  -0.594721D+00  0.904125D+00 -0.720226D+00  0.912579D+00 -0.155288D+00
      2   0.914222D+00 -0.328900D+00  0.912579D+00 -0.545156D+01  0.240887D+01
      3  -0.328900D+00  0.363922D+00 -0.155288D+00  0.240887D+01 -0.293862D+01
               151           152           153           154           155 
      1   0.588004D+00 -0.218173D+00  0.758498D-01 -0.650556D+01  0.160032D+01
      2  -0.218173D+00  0.167005D+01 -0.150786D+01  0.160032D+01 -0.112838D+01
      3   0.758498D-01 -0.150786D+01  0.147816D+01  0.430034D+01 -0.959969D+00
               156           157           158           159           160 
      1   0.430034D+01  0.146577D+01 -0.103322D+01 -0.988508D+00  0.212250D+01
      2  -0.959969D+00 -0.103322D+01  0.749301D+00  0.142801D+01 -0.738200D+00
      3  -0.433680D+01 -0.988508D+00  0.142801D+01  0.152719D+01 -0.293710D+01
               161           162           163           164           165 
      1  -0.738200D+00 -0.293710D+01  0.365523D+01  0.172432D+01  0.167054D+01
      2   0.841861D+00  0.998931D+00  0.172432D+01  0.195565D+01  0.112751D+01
      3   0.998931D+00  0.367891D+01  0.167054D+01  0.112751D+01  0.237986D+01
               166           167           168           169           170 
      1   0.166736D+01  0.146213D+01  0.811768D+00  0.571866D+00  0.536167D+00
      2   0.146213D+01  0.218711D+01  0.177668D+01  0.536167D+00  0.966116D+00
      3   0.811768D+00  0.177668D+01  0.220453D+01  0.103379D+01  0.111902D+01
               171           172           173           174           175 
      1   0.103379D+01 -0.159492D+01  0.101808D+01 -0.896668D+00  0.554934D+00
      2   0.111902D+01  0.101808D+01 -0.184727D+00  0.286852D+00 -0.117342D+00
      3   0.178238D+01 -0.896668D+00  0.286852D+00 -0.120128D+01  0.230401D+00
               176           177           178           179           180 
      1  -0.117342D+00  0.230401D+00 -0.140641D+01  0.887475D+00 -0.214332D+01
      2   0.519245D+00 -0.958895D+00  0.887475D+00 -0.224590D+01  0.216827D+01
      3  -0.958895D+00  0.665248D+00 -0.214332D+01  0.216827D+01 -0.736793D+01
               181           182           183           184           185 
      1   0.220566D+01  0.204595D+01  0.766512D+00  0.152887D+01  0.166668D+01
      2   0.204595D+01  0.428899D+01  0.445217D+00  0.166668D+01  0.515317D+01
      3   0.766512D+00  0.445217D+00  0.834625D+00  0.261392D+00  0.820529D+00
               186           187           188           189           190 
      1   0.261392D+00  0.101136D+01  0.139069D+00  0.215761D+00 -0.790404D+01
      2   0.820529D+00  0.139069D+00  0.160266D+01  0.119816D+01  0.425255D+01
      3   0.844670D+00  0.215761D+00  0.119816D+01  0.191362D+00  0.222887D+01
               191           192           193           194           195 
      1   0.425255D+01  0.222887D+01  0.950152D+00 -0.217726D+01 -0.809848D+00
      2  -0.291227D+01 -0.950201D+00 -0.217726D+01  0.232208D+01  0.101420D+01
      3  -0.950201D+00 -0.180463D+01 -0.809848D+00  0.101420D+01  0.632444D+00
               196           197           198           199           200 
      1   0.405554D+01 -0.196205D+01 -0.221480D+01 -0.147106D+01 -0.960884D+00
      2  -0.196205D+01  0.225917D+01  0.138695D+01 -0.960884D+00 -0.240006D-01
      3  -0.221480D+01  0.138695D+01  0.133474D+01  0.113885D+01 -0.223660D+00
               201           202           203           204           205 
      1   0.113885D+01 -0.170693D+01  0.941297D+00  0.381502D+00  0.151816D+01
      2  -0.223660D+00  0.941297D+00 -0.127396D+01  0.146872D+01  0.451757D+00
      3   0.357206D+00  0.381502D+00  0.146872D+01 -0.188460D+01  0.517419D+00
               206           207           208           209           210 
      1   0.451757D+00  0.517419D+00  0.822394D+00  0.653803D+00 -0.851358D+00
      2   0.171374D+01 -0.179989D+01  0.653803D+00  0.610847D-01  0.275862D-01
      3  -0.179989D+01  0.379369D+01 -0.851358D+00  0.275862D-01 -0.107169D+00
               211           212           213           214           215 
      1   0.120015D+01 -0.120078D-01 -0.407913D+00 -0.157420D+01 -0.305546D+00
      2  -0.120078D-01  0.197003D+01 -0.198175D+01 -0.305546D+00 -0.209990D+01
      3  -0.407913D+00 -0.198175D+01  0.286912D+01  0.129165D+00  0.259477D+01
               216           217           218           219           220 
      1   0.129165D+00  0.107523D+01 -0.627018D+00  0.833738D-01 -0.242708D+01
      2   0.259477D+01 -0.627018D+00 -0.121657D+01  0.297008D+00  0.519482D+00
      3  -0.591090D+01  0.833738D-01  0.297008D+00 -0.936807D+00 -0.741155D+00
               221           222           223           224           225 
      1   0.519482D+00 -0.741155D+00  0.799005D+00  0.200967D+00 -0.972751D-01
      2  -0.771765D+01  0.101017D+01  0.200967D+00 -0.398984D+00 -0.652439D+00
      3   0.101017D+01 -0.152603D+01 -0.972751D-01 -0.652439D+00  0.374096D+00
               226           227           228           229           230 
      1  -0.369391D+00  0.754693D+00  0.105170D+01  0.749429D+00 -0.409894D+00
      2   0.754693D+00 -0.100611D+01 -0.132737D+00 -0.409894D+00  0.425415D+00
      3   0.105170D+01 -0.132737D+00 -0.286741D+01 -0.901528D-01  0.122778D+01
               231           232           233           234           235 
      1  -0.901528D-01  0.296231D+01 -0.394999D+00 -0.536462D+00  0.101690D+02
      2   0.122778D+01 -0.394999D+00  0.115772D+01  0.988441D+00 -0.564235D+00
      3   0.216967D+01 -0.536462D+00  0.988441D+00  0.590064D+01  0.311762D+01
               236           237           238           239           240 
      1  -0.564235D+00  0.311762D+01  0.452536D+00  0.970158D+00  0.268152D+00
      2   0.110306D+01 -0.159324D+00  0.970158D+00 -0.384894D+00  0.380972D+00
      3  -0.159324D+00  0.195263D+01  0.268152D+00  0.380972D+00  0.483202D+00
               241           242           243 
      1   0.195740D+01  0.132047D-01  0.138582D+01
      2   0.132047D-01  0.158059D+00  0.176746D+00
      3   0.138582D+01  0.176746D+00  0.122643D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.598063D+01 -0.567777D+01  0.247491D-01 -0.506717D+01  0.102874D+02
      2   0.948934D+01  0.761787D+01  0.103440D+02  0.678877D+01  0.127917D+02
      3  -0.708447D+01 -0.790934D+01 -0.150747D+01 -0.402186D+01  0.527932D+01
                 6             7             8             9            10 
      1  -0.112663D+02 -0.110856D+01 -0.421696D+01 -0.244815D+01  0.204292D+01
      2   0.108485D+01  0.137794D+01  0.237598D+01 -0.846760D+01 -0.249549D+02
      3  -0.585188D+01 -0.456991D+00 -0.484322D+01 -0.191088D+01  0.149100D+02
                11            12            13            14            15 
      1   0.237469D+01  0.154819D+01  0.151112D+01 -0.439477D+01 -0.489643D+01
      2  -0.128147D+01  0.882569D+01 -0.116960D+01 -0.958746D+01 -0.563785D+01
      3   0.416133D+01  0.408166D+01  0.147825D+02  0.331203D+01  0.654314D+01
                16            17            18            19            20 
      1   0.413504D+00  0.571944D+01  0.400779D+01 -0.279655D+01 -0.419040D+00
      2   0.119958D+02 -0.599077D+01  0.762931D+01  0.326036D+02  0.245599D+01
      3  -0.150788D+01  0.680984D+01  0.434107D+01 -0.191988D+02 -0.578269D+01
                21            22            23            24            25 
      1  -0.852607D+00  0.151194D+01 -0.113972D+01 -0.458086D+01 -0.117280D+00
      2   0.127403D+01  0.107752D+01  0.640015D+01  0.703126D+01 -0.176815D+02
      3   0.530799D-01  0.401280D+01 -0.543633D+01 -0.111029D+01 -0.116529D+01
                26            27            28            29            30 
      1   0.270912D+00  0.426945D+01  0.764968D+01 -0.134761D+01 -0.957989D+00
      2   0.512183D+01 -0.113921D-01 -0.347421D+02 -0.523160D+01 -0.244022D+01
      3  -0.282157D+01 -0.331141D+01  0.155690D+02  0.578747D+01  0.486458D+00
                31            32            33            34            35 
      1  -0.569105D+01  0.398866D+00 -0.214051D+01 -0.369314D+01  0.324255D+01
      2  -0.168063D+02 -0.457453D+01 -0.477329D+00 -0.239502D+02 -0.329183D+01
      3   0.355976D+02  0.873936D+01 -0.142523D+01  0.392857D+01  0.142306D+01
                36            37            38            39            40 
      1  -0.382912D+01 -0.784013D+01  0.264380D+01  0.192062D+01  0.766031D+01
      2   0.193362D+00  0.254160D+02  0.587855D+01  0.490344D+01  0.163156D+02
      3   0.711254D+00 -0.224512D+02 -0.109601D+02 -0.291229D+00 -0.924141D+00
                41            42            43            44            45 
      1   0.689940D+00 -0.789154D+00  0.106229D+02  0.178808D+01  0.520469D+00
      2   0.618234D+01 -0.574477D+01 -0.114444D+02 -0.685893D+01  0.990335D+01
      3  -0.183926D+01 -0.395135D+01 -0.325220D+01 -0.556557D+01  0.411101D+01
                46            47            48            49            50 
      1   0.647503D+01 -0.100574D+02 -0.254160D+01 -0.283049D+01  0.836474D+01
      2  -0.892738D+01 -0.689572D+01 -0.976037D+01 -0.599988D+01 -0.855682D+00
      3   0.158674D+02  0.173194D+02  0.920711D+00  0.246839D+02  0.627780D+01
                51            52            53            54            55 
      1  -0.113187D+02 -0.281945D+00  0.180692D+00 -0.116030D+02 -0.398043D+01
      2  -0.194327D+01 -0.167096D+02  0.199772D+01 -0.659498D+01  0.101367D+02
      3   0.341568D+01  0.121752D+01 -0.501301D+00 -0.184450D+01 -0.124336D+02
                56            57            58            59            60 
      1   0.281869D+01 -0.295236D+00 -0.416659D+01 -0.320019D+01 -0.572423D+00
      2   0.168568D+01  0.177369D+02  0.786455D+01 -0.155426D+01  0.788988D+01
      3  -0.198628D+02  0.203715D+01 -0.151014D+02 -0.173026D+02  0.383191D+01
                61            62            63            64            65 
      1   0.200768D+00  0.266195D+01  0.347490D+01  0.707555D+01 -0.120485D+01
      2   0.690715D+00  0.231611D+01 -0.120911D+02  0.109189D+02 -0.226906D+01
      3   0.483311D+01  0.878345D+01 -0.387267D+01 -0.944566D+01 -0.208255D+02
                66            67            68            69            70 
      1  -0.546662D+01 -0.218668D+00  0.570733D+01  0.215090D+01 -0.871642D+01
      2  -0.377836D+01 -0.196488D+01  0.558742D+01  0.310323D+01 -0.122466D+02
      3  -0.554915D+01 -0.963544D+01 -0.547740D+01 -0.537103D+01 -0.225139D+01
                71            72            73            74            75 
      1   0.908220D+01 -0.137635D+02 -0.420537D+00 -0.264892D+01  0.335656D+01
      2   0.640137D+01 -0.146570D+02  0.220408D+01  0.134015D+02 -0.621056D+01
      3  -0.482130D+01 -0.426249D+00  0.589680D+01 -0.171253D+02 -0.136280D+02
                76            77            78            79            80 
      1  -0.304611D+01 -0.504653D+00 -0.273497D+01  0.544821D+01  0.151084D+01
      2   0.171211D+02  0.427944D+01  0.185538D+01 -0.186381D+02 -0.108051D+01
      3  -0.872196D+01 -0.442997D+01 -0.184071D+01 -0.158556D+02 -0.115079D+01
                81            82            83            84            85 
      1   0.156761D+01 -0.995438D+00  0.499094D+01 -0.143844D+01  0.442440D+01
      2  -0.354743D+01 -0.416306D+01 -0.861814D+01 -0.119039D+00 -0.128546D+02
      3  -0.548607D+01 -0.703891D+01  0.503088D+01  0.533429D+01  0.157548D+02
                86            87            88            89            90 
      1  -0.995543D+00  0.678243D+01 -0.116149D+01  0.158842D+02  0.111400D+01
      2  -0.497412D+01 -0.553090D+01 -0.230283D+01 -0.620113D+01 -0.292676D+01
      3   0.910604D+01 -0.236411D+01  0.720477D+01 -0.251560D+01  0.901772D+01
                91            92            93            94            95 
      1  -0.199166D+01  0.560564D+01  0.433160D+01 -0.424290D+01  0.838202D+01
      2  -0.291003D+01 -0.346914D+00  0.193514D+02 -0.170914D+01 -0.427552D+01
      3   0.672819D+01 -0.108054D+02  0.323335D+01  0.625488D+00 -0.175901D+02
                96            97            98            99           100 
      1  -0.825577D+01 -0.185773D+01  0.429962D+01 -0.498304D+01 -0.215899D+01
      2  -0.109634D+02  0.751131D+01 -0.755826D+01 -0.647885D+01  0.534211D+01
      3   0.129058D+01  0.261141D+01 -0.375667D+01  0.520199D+01  0.494597D+01
               101           102           103           104           105 
      1   0.156850D+01 -0.197113D+01  0.104013D+01 -0.167411D+01  0.426989D+00
      2  -0.186931D+01  0.847100D+01 -0.373200D+01  0.171560D+01 -0.397138D+01
      3  -0.375548D+01  0.396108D+01 -0.191109D+01  0.479722D+01 -0.303360D+01
               106           107           108           109           110 
      1  -0.341700D+01  0.319506D+01 -0.357927D+01  0.268972D+01  0.485102D+00
      2   0.822432D+01 -0.987306D+00  0.141704D+02 -0.915198D+01 -0.418886D+01
      3   0.650751D+01 -0.609098D+01  0.435730D+01 -0.525276D+00 -0.491051D+01
               111           112           113           114           115 
      1  -0.270650D+01  0.202981D+01  0.859035D+00 -0.220760D+01 -0.305159D+01
      2   0.937889D+01 -0.543868D+01 -0.413118D+01  0.402491D+01  0.102170D+02
      3   0.135431D+01 -0.184842D+01 -0.484419D+01  0.206531D+01  0.258471D+01
               116           117           118           119           120 
      1   0.362427D+00  0.337529D+01 -0.335666D+00  0.760674D-02  0.117079D+00
      2   0.366393D+01 -0.111556D+02  0.240185D+01  0.559881D+00  0.604494D+00
      3   0.573677D+01 -0.459886D+00  0.892067D+00 -0.936062D+00  0.323615D+00
               121           122           123           124           125 
      1  -0.201755D+01 -0.266793D+01  0.695975D+00 -0.120793D+01  0.442818D+01
      2   0.163192D+01  0.569197D+00 -0.264317D+01 -0.360054D+01 -0.159877D+01
      3   0.173006D+01  0.921587D+00 -0.119677D+01  0.170203D+00 -0.163778D+01
               126           127           128           129           130 
      1  -0.272139D+01  0.244338D+01 -0.206182D+01  0.237921D+01 -0.164663D+01
      2   0.543515D+01 -0.583553D+00  0.840852D+00  0.544497D+00  0.136032D+01
      3   0.205791D+01 -0.323977D+01  0.222344D+01 -0.277551D+01  0.394310D+01
               131           132           133           134           135 
      1   0.728754D+01 -0.729238D+01  0.920960D+00 -0.617140D+01  0.865462D+01
      2  -0.200831D+01  0.235061D+01 -0.726320D+00  0.334452D+01 -0.299388D+01
      3  -0.110361D+02  0.397970D+01 -0.467579D+01  0.694908D+01 -0.512663D+01
               136           137           138           139           140 
      1  -0.104431D+01 -0.641918D+00  0.893149D-01 -0.503870D+00 -0.666327D+00
      2   0.206741D+01  0.133590D+00  0.369518D+00  0.610266D+00  0.467841D+01
      3  -0.117048D+01 -0.155612D+00  0.957610D+00  0.122361D+01 -0.774956D+01
               141           142           143           144           145 
      1  -0.508772D+01 -0.115881D+00 -0.313499D+01 -0.974565D+01 -0.157497D+01
      2   0.468016D+01 -0.262783D+01  0.716535D+01  0.996974D+01 -0.437830D+01
      3  -0.438697D+01  0.207251D+01 -0.684882D+01 -0.766505D+01 -0.156234D+01
               146           147           148           149           150 
      1   0.292426D+01 -0.263898D+00  0.266390D+01 -0.147919D+02  0.225972D+01
      2   0.225582D+01 -0.141842D+01  0.405739D+01 -0.750968D+01  0.582578D+01
      3   0.101097D+01 -0.321659D+00  0.397616D+01 -0.887571D+01  0.392020D+01
               151           152           153           154           155 
      1  -0.312979D+00  0.472892D+01 -0.302426D+01  0.194227D+01 -0.330251D+01
      2  -0.256759D+01  0.354747D+01 -0.282826D+01  0.447617D+01 -0.132619D+01
      3  -0.673686D+00  0.258933D+01 -0.258208D+01  0.133841D+01 -0.379164D+01
               156           157           158           159           160 
      1   0.126340D+00 -0.156641D+01  0.114737D+01  0.947783D+00 -0.879658D+00
      2   0.345268D+01 -0.201526D+01 -0.128892D+01 -0.179673D+01 -0.322759D+01
      3  -0.688509D+00 -0.765177D+00  0.161278D+01  0.246281D+01 -0.655131D-01
               161           162           163           164           165 
      1   0.320781D+01  0.353910D+00  0.304890D+01  0.485212D+01  0.293948D+00
      2  -0.329832D+00 -0.195962D+01 -0.149818D+02 -0.663278D+01 -0.671278D+01
      3   0.232880D+01  0.101076D+01  0.668782D+01  0.279043D+01  0.286475D+01
               166           167           168           169           170 
      1   0.289163D+01  0.407967D+01  0.642175D+00  0.794315D+00  0.299675D+01
      2  -0.726203D+01 -0.734526D+01 -0.525328D+01 -0.573786D+01 -0.362505D+01
      3   0.548880D+01  0.373710D+01  0.374435D+01  0.154575D+01  0.130556D+01
               171           172           173           174           175 
      1   0.140793D+01  0.170011D+01 -0.291691D+00  0.287196D+01 -0.840403D+00
      2  -0.547496D+01  0.160182D+01 -0.617258D+00  0.349551D+01 -0.355333D+00
      3   0.284280D+01  0.691066D+00  0.317467D+00 -0.873553D+00  0.124414D+01
               176           177           178           179           180 
      1   0.196202D+01 -0.238432D+01  0.418370D+01 -0.403610D+00  0.168270D+02
      2   0.224526D+01 -0.158710D+01  0.200239D+01 -0.473853D+01  0.180179D+02
      3   0.102092D+01 -0.183780D+01 -0.152490D+01 -0.489663D+01  0.229493D+01
               181           182           183           184           185 
      1  -0.199172D+01 -0.876331D+00 -0.332350D+01 -0.109353D+01 -0.230315D+01
      2  -0.161154D+01 -0.724969D+00 -0.279416D+00 -0.269833D+00 -0.157310D+01
      3   0.147687D+02  0.145280D+02  0.320827D+01  0.103713D+02  0.175639D+02
               186           187           188           189           190 
      1  -0.401493D+01 -0.830389D+00 -0.119583D+01 -0.648009D+00 -0.512693D+01
      2  -0.105920D+01 -0.134169D+01 -0.250367D+01 -0.246454D+00 -0.612203D+01
      3   0.305030D+01  0.278026D+01  0.447202D+01  0.375723D+01 -0.373300D+01
               191           192           193           194           195 
      1   0.174935D+01  0.541042D+01  0.254640D+01 -0.235206D+01 -0.292431D+01
      2   0.292699D+01  0.753016D+01  0.161111D+01 -0.301354D+01 -0.272207D+01
      3  -0.257118D+01  0.216346D+01  0.199320D+01  0.270458D+01  0.870577D+00
               196           197           198           199           200 
      1   0.435627D+01 -0.133103D+01 -0.327128D+01 -0.235630D-01  0.393966D+00
      2   0.520760D+01 -0.345989D+01 -0.448810D+01 -0.581083D+00 -0.475816D+00
      3   0.136050D+01  0.378225D+01 -0.369092D+00  0.102983D+01  0.458842D+00
               201           202           203           204           205 
      1   0.286200D+00  0.457773D+01  0.793788D+00 -0.286276D+01  0.251577D+01
      2  -0.989320D-01  0.158920D+01  0.141604D+01 -0.761828D+00 -0.239021D+01
      3  -0.812039D+00  0.269164D+01  0.596119D-01 -0.265959D+00 -0.234425D+01
               206           207           208           209           210 
      1   0.118598D+01  0.355537D+01 -0.923536D+00  0.526646D+00  0.141818D-01
      2   0.208176D+00  0.250320D+01 -0.977480D+00  0.208646D+00  0.388840D+00
      3  -0.855993D+00  0.528779D+00 -0.180389D+01 -0.581787D+00  0.272567D+00
               211           212           213           214           215 
      1   0.166300D+01 -0.198512D+01 -0.220099D+00  0.747904D+00  0.367121D+01
      2   0.333119D+00 -0.408659D+01  0.522488D+01 -0.363269D+01  0.464865D+01
      3   0.328374D+01 -0.373090D+01  0.421463D+01  0.630638D+00  0.436178D+01
               216           217           218           219           220 
      1   0.668646D+00  0.332082D+00 -0.242253D+01  0.148650D+00  0.100976D+01
      2  -0.106362D+02  0.697673D+00  0.234606D+01 -0.255879D+01  0.745391D-01
      3  -0.530122D+01  0.216395D+01  0.468813D+01 -0.120053D+01  0.859863D+00
               221           222           223           224           225 
      1  -0.126456D+02 -0.352003D-01  0.204347D+01 -0.880292D+00 -0.512008D+00
      2   0.448738D+01 -0.389755D+01  0.112979D+00 -0.215394D+01  0.231630D+01
      3   0.274983D+02 -0.340624D+01 -0.185241D+01  0.173074D+01  0.238377D+01
               226           227           228           229           230 
      1   0.331530D+00 -0.178363D+01 -0.412029D+01  0.756823D+00  0.194163D+01
      2   0.623383D+01 -0.183932D+01 -0.128842D+02 -0.152726D+01  0.584949D+01
      3  -0.154047D+01  0.189268D+01 -0.304746D-01  0.715874D+00 -0.822357D+00
               231           232           233           234           235 
      1   0.376798D+01 -0.187096D+01  0.338373D+01  0.711206D+01  0.145388D+01
      2   0.907359D+01 -0.654218D+01  0.428023D+01  0.236351D+02 -0.144867D+01
      3  -0.438153D+01  0.745309D-01 -0.303774D+01 -0.273962D+01 -0.457301D+01
               236           237           238           239           240 
      1   0.179473D+01  0.101879D+01  0.588764D+00 -0.280002D+00 -0.271072D+00
      2  -0.294278D+00  0.577165D+01  0.669481D+00  0.575697D+00  0.184525D+01
      3  -0.588685D+01 -0.127261D+01 -0.213053D+01  0.814066D+00 -0.909713D+00
               241           242           243 
      1   0.686767D+00  0.118483D+01  0.917993D+00
      2   0.109182D+00  0.997001D+00  0.272830D+01
      3  -0.189609D+01 -0.928731D+00 -0.152116D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.446315D+01  0.134124D+02  0.188864D+02  0.118066D+02  0.153040D+02
      2   0.774314D+01 -0.100048D+02 -0.175789D+02 -0.952428D+01  0.147415D+01
      3  -0.122063D+02 -0.340764D+01 -0.130755D+01 -0.228229D+01 -0.167781D+02
      4   0.136938D+02  0.328321D+01 -0.703788D+01  0.543677D+01 -0.155650D+02
      5   0.268383D+02 -0.129634D+02 -0.265011D+02 -0.143099D+02  0.512174D+01
      6  -0.150273D+02 -0.842387D+01  0.252552D+01 -0.697331D+01  0.104491D+02
                 6             7             8             9            10 
      1   0.482630D+00  0.133772D+02 -0.136372D-01 -0.164336D+02 -0.282573D+02
      2   0.313471D+01 -0.127456D+02  0.201121D+01 -0.162127D+01  0.229213D+02
      3  -0.361734D+01 -0.631583D+00 -0.199757D+01  0.180548D+02  0.533603D+01
      4   0.109424D+02 -0.751370D+01  0.846107D+01  0.711761D+01 -0.396075D+02
      5   0.477293D+01 -0.251656D+02  0.630881D+01 -0.227466D+01 -0.128556D+02
      6  -0.127698D+02  0.352180D+01 -0.111482D+02 -0.112658D+01  0.126051D+02
                11            12            13            14            15 
      1  -0.196797D+02 -0.858432D+01 -0.276470D+02 -0.254772D+02 -0.109965D+02
      2   0.149734D+02  0.597023D+01  0.198109D+02  0.360743D+01  0.612486D+01
      3   0.470629D+01  0.261409D+01  0.783613D+01  0.218697D+02  0.487160D+01
      4  -0.175300D+01  0.394567D+01 -0.496977D+01  0.280789D+01 -0.132645D+02
      5   0.991491D+00  0.132316D+02  0.272988D+01 -0.887075D+01 -0.602311D+01
      6  -0.216810D+01 -0.255766D+01  0.144694D+01  0.846821D+01  0.651536D+01
                16            17            18            19            20 
      1   0.234713D+01 -0.972723D+01  0.102941D+02  0.799053D+02  0.124898D+02
      2  -0.720942D+01  0.908664D+01  0.901465D+00 -0.645430D+02 -0.121172D+02
      3   0.486228D+01  0.640593D+00 -0.111956D+02 -0.153623D+02 -0.372535D+00
      4   0.998216D+01 -0.175779D+02 -0.134258D+02  0.219381D+02 -0.142561D+02
      5   0.139044D+02 -0.972496D+01  0.153833D+02 -0.195184D+02 -0.833797D+01
      6  -0.808731D+01  0.565515D+01 -0.635722D+01 -0.283352D+02 -0.620622D+01
                21            22            23            24            25 
      1   0.217962D+01  0.120369D+02  0.118509D+02 -0.898758D+00  0.116911D+01
      2  -0.317913D+01 -0.147575D+02 -0.812253D+01 -0.703751D+01  0.292263D+01
      3   0.999510D+00  0.272064D+01 -0.372836D+01  0.793626D+01 -0.409175D+01
      4  -0.808004D+01 -0.276414D+02 -0.594273D+01  0.224823D+01 -0.148596D+02
      5  -0.167277D+01 -0.133854D+02 -0.498996D+01  0.730915D+01 -0.689601D+01
      6  -0.167625D+01 -0.101220D+02 -0.643477D+01 -0.264065D+01  0.710306D-01
                26            27            28            29            30 
      1  -0.128080D+01  0.636109D+01 -0.144021D+03 -0.134598D+02  0.359511D+01
      2  -0.830697D+01  0.730696D+01  0.925268D+02  0.800231D+01 -0.325035D+01
      3   0.958777D+01 -0.136681D+02  0.514941D+02  0.545750D+01 -0.344758D+00
      4   0.527239D+01  0.917783D+01 -0.217689D+02 -0.818343D+01  0.122236D+01
      5   0.537562D+01 -0.431995D+01  0.341510D+02  0.310973D+01 -0.112976D+02
      6  -0.885913D+00  0.747449D+01  0.289849D+02  0.556921D+01  0.452404D+00
                31            32            33            34            35 
      1  -0.431075D+02 -0.276721D+02 -0.633492D+01  0.269835D+02 -0.332028D+01
      2   0.302224D+02  0.212252D+02  0.433606D+01 -0.141710D+02  0.581550D+01
      3   0.128851D+02  0.644686D+01  0.199886D+01 -0.128126D+02 -0.249522D+01
      4  -0.176579D+02 -0.117911D+02 -0.337088D+01  0.297091D+01 -0.419242D+01
      5   0.682053D+01  0.198465D+01 -0.211478D+00 -0.958909D+01  0.153862D+01
      6   0.790602D+01  0.102475D+02  0.425689D+01 -0.182392D+00  0.226334D+01
                36            37            38            39            40 
      1  -0.132851D+02  0.189940D+03  0.320156D+02 -0.150813D+02  0.384617D+02
      2   0.212952D+01 -0.110387D+03 -0.187388D+02  0.948078D+01 -0.189861D+02
      3   0.111556D+02 -0.795533D+02 -0.132768D+02  0.560056D+01 -0.194756D+02
      4   0.676673D+00  0.410476D+02  0.174381D+02  0.870925D-01  0.319345D+02
      5  -0.476182D+00 -0.497972D+02 -0.409308D+01  0.119415D+02 -0.146270D+01
      6   0.471957D+01 -0.267039D+02 -0.527956D+01  0.141850D+00 -0.102994D+02
                41            42            43            44            45 
      1   0.101672D+02 -0.103320D+02 -0.837758D+01 -0.981742D+01  0.114444D+02
      2   0.655893D+00 -0.179355D+01  0.114717D+02  0.384882D+01 -0.514574D+01
      3  -0.108231D+02  0.121255D+02 -0.309411D+01  0.596860D+01 -0.629870D+01
      4   0.658137D+01  0.128011D+01  0.925455D+01  0.746223D+01 -0.998947D+01
      5   0.184704D+01 -0.131711D+02  0.179298D+02 -0.874903D+01  0.782717D+01
      6   0.783191D-01  0.380272D+00  0.139223D+01 -0.311812D+00  0.103785D+02
                46            47            48            49            50 
      1  -0.179321D+03 -0.367633D+02  0.310651D+02 -0.682345D+02 -0.210222D+02
      2   0.941875D+02  0.165410D+02 -0.159063D+02  0.350937D+02  0.115542D+02
      3   0.851336D+02  0.202223D+02 -0.151589D+02  0.331408D+02  0.946794D+01
      4  -0.652316D+02 -0.323623D+02  0.105425D+02 -0.182268D+02 -0.105418D+02
      5   0.654479D+02  0.146743D+02 -0.259764D+02  0.299792D+02  0.362218D+00
      6   0.227083D+02  0.284001D+01 -0.545313D+01  0.601394D+00  0.685982D+01
                51            52            53            54            55 
      1   0.120868D+02  0.458190D+02  0.136681D+02 -0.142688D+02  0.198673D+03
      2  -0.101894D+02 -0.179731D+02 -0.809379D+00  0.109982D+02 -0.101927D+03
      3  -0.189733D+01 -0.278460D+02 -0.128587D+02  0.327065D+01 -0.967468D+02
      4  -0.118899D+01  0.243327D+02 -0.226571D+01  0.639945D+01  0.587355D+02
      5   0.522746D+01 -0.162988D+02  0.735673D+01 -0.126879D+02 -0.629069D+02
      6   0.105965D+01  0.388978D+01 -0.246334D+01  0.498687D+01 -0.132286D+02
                56            57            58            59            60 
      1   0.374978D+02 -0.323875D+02  0.803644D+02  0.325124D+02 -0.510160D+01
      2  -0.142385D+02  0.208939D+02 -0.351461D+02 -0.516211D+01  0.111829D+01
      3  -0.232592D+02  0.114936D+02 -0.452183D+02 -0.273502D+02  0.398330D+01
      4   0.385506D+02 -0.105577D+02  0.635554D+02  0.427828D+02 -0.151673D+02
      5  -0.128382D+02  0.369617D+02 -0.219956D+02 -0.172504D+02  0.108391D+02
      6  -0.559098D+01  0.537428D+01 -0.125202D+02 -0.883768D+01  0.899971D+01
                61            62            63            64            65 
      1  -0.901536D+02 -0.125988D+02  0.255737D+02 -0.107958D+01  0.340947D+02
      2   0.530633D+02  0.537471D+01 -0.229401D+02 -0.155877D+02 -0.277993D+02
      3   0.370904D+02  0.722412D+01 -0.263358D+01  0.166673D+02 -0.629539D+01
      4  -0.256129D+02 -0.133174D+02  0.130548D+02  0.358509D+02 -0.139593D+02
      5   0.610744D+02  0.151343D+02 -0.367822D+02  0.145137D+02 -0.562718D+01
      6   0.129264D+02  0.956297D+01 -0.566688D+01 -0.155457D+02  0.297304D+01
                66            67            68            69            70 
      1   0.167069D+02  0.290695D+02  0.826411D+01  0.914744D+00  0.136160D+02
      2  -0.678264D+01 -0.233764D+02  0.746681D+00 -0.836772D+01  0.593582D+00
      3  -0.992426D+01 -0.569307D+01 -0.901079D+01  0.745298D+01 -0.142096D+02
      4  -0.148885D+02 -0.829328D+01 -0.130335D+02  0.109918D+02 -0.208589D+02
      5  -0.111916D+02 -0.575106D+01  0.108424D+02  0.570422D+01 -0.142539D+02
      6   0.831088D+01  0.428113D+01 -0.111805D+02 -0.498188D+01  0.130680D+02
                71            72            73            74            75 
      1  -0.145977D+01 -0.750167D+01 -0.102341D+02 -0.100613D+02 -0.278728D+01
      2  -0.102593D+02  0.601693D+01  0.646887D+01  0.339326D+01  0.811326D+01
      3   0.117191D+02  0.148474D+01  0.376518D+01  0.666809D+01 -0.532598D+01
      4   0.133476D+02  0.183999D+02 -0.108843D+02  0.540780D+01  0.170978D+02
      5   0.120524D+02 -0.300858D+02  0.621651D+01  0.174608D+02 -0.216322D+02
      6  -0.605487D+01  0.207160D+02  0.376711D+01  0.890249D+01  0.745158D+00
                76            77            78            79            80 
      1  -0.110543D+02  0.213287D+02  0.287689D+02  0.357871D+01  0.294589D+02
      2   0.535433D+01 -0.917759D+01 -0.157957D+02  0.807073D+01 -0.173122D+02
      3   0.569994D+01 -0.121511D+02 -0.129732D+02 -0.116494D+02 -0.121467D+02
      4   0.137921D+02  0.146778D+02  0.121735D+02  0.311869D+02  0.167391D+02
      5   0.289571D+02  0.820995D+01  0.601493D+01 -0.308004D+02  0.389601D+01
      6   0.800489D+01  0.166435D+01 -0.123746D+01 -0.189036D+01 -0.412104D+00
                81            82            83            84            85 
      1  -0.237960D+02 -0.418236D+02  0.158370D+01  0.899857D+01  0.339310D+01
      2   0.165539D+02  0.380481D+02  0.104921D+02 -0.786790D+01  0.100932D+02
      3   0.724216D+01  0.377549D+01 -0.120758D+02 -0.113067D+01 -0.134863D+02
      4  -0.124383D-01  0.183054D+02  0.172065D+02  0.118403D+01  0.244165D+02
      5  -0.116379D+02  0.136016D+02  0.344170D+01  0.228493D+01  0.312923D+01
      6   0.504468D+01  0.197381D+02  0.144180D+00  0.349813D+00  0.205953D+01
                86            87            88            89            90 
      1   0.793117D+01 -0.436167D+01  0.271791D+02  0.116769D+01  0.224799D+02
      2  -0.133008D+01  0.127816D+02 -0.222790D+02  0.107471D+02 -0.183468D+02
      3  -0.660109D+01 -0.841990D+01 -0.490008D+01 -0.119147D+02 -0.413311D+01
      4   0.218318D+01 -0.486745D+01 -0.127163D+01 -0.914256D+01 -0.144405D+02
      5   0.262845D+01 -0.118167D+02 -0.107201D+01 -0.173221D+02 -0.682283D+01
      6  -0.286738D+00 -0.165118D+02 -0.684354D+01 -0.269706D+02 -0.178897D+02
                91            92            93            94            95 
      1  -0.620150D+02  0.652935D+00 -0.336709D+02 -0.102174D+02  0.222764D+02
      2   0.377557D+02 -0.640117D+01  0.811215D+01  0.371364D+01 -0.236884D+02
      3   0.242594D+02  0.574823D+01  0.255587D+02  0.650378D+01  0.141199D+01
      4   0.108071D+01  0.165014D+02 -0.100724D+01  0.100983D+02  0.255112D+02
      5  -0.300212D+02 -0.302944D+01  0.120513D+02 -0.754236D+01  0.283295D+01
      6  -0.311384D+00  0.535970D+01 -0.242557D+00  0.358156D+01  0.763685D+01
                96            97            98            99           100 
      1   0.281311D+01 -0.190803D+02  0.463992D+01  0.182668D+02  0.389369D+02
      2   0.909707D+01  0.377862D+01  0.637528D+00 -0.372116D+01 -0.253210D+02
      3  -0.119102D+02  0.153017D+02 -0.527744D+01 -0.145457D+02 -0.136158D+02
      4   0.281384D+00 -0.415792D+01  0.604782D+01 -0.148966D+02  0.216960D+01
      5  -0.145324D+02  0.139129D+02 -0.126729D+02  0.572895D+01  0.262976D+02
      6   0.225905D+01 -0.255948D+01  0.623728D+01 -0.997628D+01 -0.651900D-01
               101           102           103           104           105 
      1  -0.131907D+01  0.174428D+02 -0.108940D+02  0.328957D+01 -0.817792D+01
      2   0.165817D+01 -0.134557D+02  0.757248D+01 -0.289011D+01  0.630988D+01
      3  -0.339106D+00 -0.398712D+01  0.332149D+01 -0.399458D+00  0.186804D+01
      4   0.619282D+01 -0.178647D+01  0.793360D+01 -0.640760D+01  0.492609D+01
      5  -0.385788D+01  0.224578D+02 -0.111775D+02  0.656416D+01 -0.904354D+01
      6   0.969215D+00  0.133219D+01  0.233056D+01 -0.166489D+01  0.349103D+01
               106           107           108           109           110 
      1   0.272988D+02 -0.510525D+01  0.180007D+02  0.535551D+02  0.156895D+02
      2  -0.229110D+02  0.479048D+01 -0.212567D+02 -0.247723D+02 -0.489461D+01
      3  -0.438781D+01  0.314769D+00  0.325592D+01 -0.287828D+02 -0.107949D+02
      4  -0.214574D+01  0.746469D+01 -0.360098D-01  0.286766D+02  0.159571D+02
      5   0.346536D+02 -0.286696D+01  0.365195D+02 -0.176959D+02 -0.784555D+01
      6   0.140874D+01  0.380045D+01  0.193005D+01 -0.673608D+01 -0.334055D+01
               111           112           113           114           115 
      1  -0.141155D+02  0.169441D+02  0.697365D+01 -0.723036D+01 -0.302200D+02
      2   0.611807D+01 -0.427329D+01  0.216706D+01  0.250168D+01  0.140475D+02
      3   0.799745D+01 -0.126708D+02 -0.914072D+01  0.472868D+01  0.161725D+02
      4  -0.103966D+02  0.208513D+02  0.168090D+02 -0.938596D+01 -0.207140D+02
      5   0.162102D+02 -0.947913D+01 -0.778978D+01  0.595494D+01  0.255221D+02
      6   0.391075D+01 -0.497224D+01 -0.328789D+01  0.462340D+01  0.782162D+01
               116           117           118           119           120 
      1  -0.112863D+02  0.157757D+02  0.950968D+00 -0.550037D+00  0.189032D+01
      2   0.382374D+01 -0.104062D+02 -0.344953D+01  0.199948D+00 -0.219405D+00
      3   0.746259D+01 -0.536943D+01  0.249856D+01  0.350089D+00 -0.167091D+01
      4  -0.157541D+02  0.109448D+02 -0.175288D+01  0.267273D+01 -0.224987D+00
      5   0.811688D+01 -0.193113D+02  0.144768D+01 -0.981962D+00  0.596217D+01
      6   0.538451D+01 -0.719736D+01 -0.152098D+01  0.863158D-01  0.252943D+00
               121           122           123           124           125 
      1   0.190963D+01 -0.679584D+01  0.710925D+01 -0.530243D-01  0.444459D+01
      2  -0.160919D+00  0.166320D+01  0.490366D+00 -0.749284D+00  0.296376D+01
      3  -0.174871D+01  0.513264D+01 -0.759961D+01  0.802308D+00 -0.740835D+01
      4   0.277251D+01 -0.272790D+01  0.259813D+01 -0.355015D+00  0.478098D+01
      5  -0.141765D+01  0.214887D+01 -0.455245D+01  0.532976D+01 -0.301884D+01
      6   0.316118D+00 -0.518513D+01  0.727027D+01 -0.562792D+00  0.583290D+01
               126           127           128           129           130 
      1  -0.193629D+02 -0.814020D+00  0.761494D+01 -0.320787D+01  0.609806D+01
      2  -0.103406D+02  0.272452D+01 -0.106158D+02  0.355452D+01 -0.605631D+01
      3   0.297036D+02 -0.191050D+01  0.300081D+01 -0.346648D+00 -0.417455D-01
      4  -0.400277D+01 -0.185047D+01  0.147851D+01 -0.197517D+01  0.392698D+01
      5   0.106770D+02 -0.157272D+01  0.331338D+00 -0.519313D+00  0.691814D+00
      6  -0.594923D+01 -0.445102D+01  0.112564D+01 -0.232284D+01  0.213776D+00
               131           132           133           134           135 
      1  -0.231720D+02  0.642657D+01 -0.679205D+01  0.132046D+02 -0.113720D+02
      2   0.354041D+02 -0.114167D+02  0.447505D+01 -0.213802D+02  0.126525D+02
      3  -0.122321D+02  0.499012D+01  0.231701D+01  0.817570D+01 -0.128056D+01
      4   0.118641D+02 -0.328654D+01 -0.407215D+01 -0.743396D+01  0.459363D+01
      5  -0.540264D+01  0.546514D+01 -0.211301D+00  0.695848D+01 -0.605874D+01
      6  -0.644088D+01  0.971662D+01 -0.269160D+00  0.115753D+02 -0.815491D+01
               136           137           138           139           140 
      1   0.577070D+01  0.475363D+01  0.345159D+01  0.372266D+01 -0.201668D+02
      2  -0.556402D+01 -0.357712D+01 -0.131359D+01 -0.256307D+01  0.191165D+02
      3  -0.206683D+00 -0.117651D+01 -0.213800D+01 -0.115958D+01  0.105028D+01
      4   0.465030D+01  0.504544D+01  0.492248D+01  0.677747D+01  0.150943D+02
      5   0.303727D+01  0.370266D+01  0.589340D+01  0.338784D+01  0.104071D+02
      6   0.315819D+01 -0.382264D-01  0.938622D-01  0.310633D+01  0.226057D+02
               141           142           143           144           145 
      1  -0.131499D+02 -0.269531D+01 -0.227664D+02 -0.280468D+02 -0.254321D+01
      2   0.858172D+01  0.228004D+01  0.125911D+02  0.621200D+01 -0.470362D+00
      3   0.456821D+01  0.415266D+00  0.101753D+02  0.218348D+02  0.301357D+01
      4   0.103188D+02  0.993596D+01  0.163412D+02  0.156048D+02  0.110237D+01
      5   0.103731D+02  0.105456D+02  0.177967D+02  0.223481D+02 -0.201868D+01
      6   0.212727D+02  0.799614D+01  0.314446D+02  0.355026D+02 -0.184759D+01
               146           147           148           149           150 
      1   0.264786D+01 -0.547875D+01  0.373105D+01 -0.133279D+02  0.991936D+01
      2  -0.246227D+00  0.141844D+01 -0.171475D+01  0.505988D+01  0.339155D+01
      3  -0.240164D+01  0.406031D+01 -0.201631D+01  0.826800D+01 -0.133109D+02
      4  -0.450810D-01  0.717205D+00  0.154515D+00  0.184019D+02 -0.820166D+01
      5  -0.948722D+00  0.378118D+01 -0.340283D+01 -0.542428D+01  0.839635D+01
      6   0.417213D+01 -0.206302D+01  0.275626D+01 -0.220416D+02  0.128858D+02
               151           152           153           154           155 
      1  -0.276639D+01  0.668979D+01 -0.672637D+01  0.239131D+02 -0.428956D+01
      2   0.128215D+01  0.127435D+01 -0.249573D+01 -0.229701D+02  0.336276D+01
      3   0.148423D+01 -0.796414D+01  0.922210D+01 -0.943000D+00  0.926805D+00
      4   0.452385D+00 -0.488236D+01  0.458351D+01 -0.125645D+02  0.937032D+01
      5   0.415357D+01  0.320978D+01 -0.348237D+01 -0.401808D+02  0.954428D+01
      6  -0.157454D+01  0.108110D+02 -0.768836D+01  0.869470D+01 -0.644528D+01
               156           157           158           159           160 
      1  -0.862429D+01 -0.474039D+01  0.156108D+00 -0.708302D+00 -0.713469D+01
      2   0.186816D+02  0.386038D+01 -0.187000D+01 -0.342444D+01  0.148426D+02
      3  -0.100573D+02  0.880012D+00  0.171389D+01  0.413274D+01 -0.770792D+01
      4   0.773415D+01  0.880257D+01 -0.567742D+01 -0.792145D+01  0.547891D+01
      5   0.349292D+02  0.103313D+02 -0.880354D+01 -0.975108D+01  0.263613D+02
      6  -0.669145D+01 -0.593677D+01  0.450152D+01  0.875798D+01 -0.496071D+01
               161           162           163           164           165 
      1  -0.328111D+00  0.150551D+01 -0.107832D+02 -0.101043D+02 -0.146124D+02
      2  -0.229241D+01 -0.155895D+02  0.236162D+01  0.511032D+01  0.771098D+00
      3   0.262053D+01  0.140840D+02  0.842154D+01  0.499394D+01  0.138413D+02
      4  -0.458605D+01 -0.651920D+01  0.362505D+00 -0.133832D+01 -0.228932D+00
      5  -0.661675D+01 -0.274685D+02  0.756534D+01  0.446942D+01  0.342818D+01
      6   0.627716D+01  0.694757D+01  0.819151D+01  0.972410D+01  0.697908D+01
               166           167           168           169           170 
      1  -0.949113D+01 -0.138211D+02 -0.103015D+02 -0.803676D+01 -0.580349D+01
      2   0.527121D+01  0.791853D+01  0.508631D+00  0.814783D+00 -0.258219D+00
      3   0.421992D+01  0.590253D+01  0.979288D+01  0.722197D+01  0.606171D+01
      4   0.230901D-02 -0.187163D+01 -0.320228D+01 -0.282773D-01 -0.161904D+01
      5   0.628088D+01  0.111042D+01 -0.211314D+01  0.592996D+01  0.210817D-01
      6   0.686683D+01  0.104808D+02  0.107278D+02  0.399167D+01  0.727785D+01
               171           172           173           174           175 
      1  -0.930721D+01  0.488508D+01 -0.506092D+01  0.383450D+01 -0.791079D+00
      2  -0.172505D+01 -0.170856D+01  0.262130D+01 -0.291427D+01  0.723971D-01
      3   0.110323D+02 -0.317653D+01  0.243962D+01 -0.920226D+00  0.718682D+00
      4  -0.157525D+01 -0.893790D+01  0.598397D+01 -0.416326D+01  0.391502D+01
      5   0.703437D+00  0.669594D+01 -0.246220D+01  0.107395D+02 -0.101927D+01
      6   0.670329D+01 -0.314653D+01  0.162314D+01 -0.502366D+01  0.197679D+01
               176           177           178           179           180 
      1  -0.345085D+01  0.321287D+01  0.455385D+01  0.469661D+01 -0.538058D+01
      2   0.287853D+01 -0.416695D+01 -0.375499D+01 -0.626108D+01 -0.729862D+01
      3   0.572317D+00  0.954087D+00 -0.798855D+00  0.156447D+01  0.126792D+02
      4  -0.236044D+01  0.555645D+01 -0.889656D+01  0.123567D+02 -0.146532D+02
      5   0.513038D+01 -0.360362D+01  0.158196D+02 -0.114753D+02  0.386995D+02
      6  -0.479422D+01  0.834467D+01 -0.929646D+01  0.131296D+02 -0.300114D+02
               181           182           183           184           185 
      1  -0.141739D+02 -0.246091D+02 -0.547960D+01 -0.147928D+02 -0.271972D+02
      2   0.150265D+02  0.289815D+02  0.419803D+01  0.150021D+02  0.364466D+02
      3  -0.852628D+00 -0.437239D+01  0.128157D+01 -0.209360D+00 -0.924941D+01
      4   0.473294D+01 -0.117407D+01  0.260716D+01  0.507579D+01 -0.722740D+01
      5  -0.307823D+01 -0.638500D+00 -0.121751D+01 -0.801364D+00 -0.315637D+01
      6   0.331714D+01  0.144344D+01  0.504846D+01  0.918234D+00  0.351371D+01
               186           187           188           189           190 
      1  -0.429010D+01 -0.572718D+01 -0.573047D+01 -0.577832D+01  0.437358D+02
      2   0.571639D+01  0.298078D+01  0.847504D+01  0.496672D+01 -0.107516D+02
      3  -0.142629D+01  0.274639D+01 -0.274457D+01  0.811607D+00 -0.329842D+02
      4  -0.148756D+01  0.376587D+01 -0.440340D+01 -0.219662D+01 -0.486838D+02
      5  -0.297687D+01  0.131669D+01 -0.342672D+01  0.966784D+00 -0.149249D+02
      6   0.609970D+01  0.179832D+01  0.750930D+01  0.165329D+01  0.942692D+01
               191           192           193           194           195 
      1  -0.160830D+02 -0.119782D+02 -0.122101D+02  0.407690D+01  0.121415D+01
      2  -0.164287D+01  0.420851D+01 -0.107311D+01  0.787928D+01  0.333706D+01
      3   0.177258D+02  0.776973D+01  0.132832D+02 -0.119562D+02 -0.455120D+01
      4   0.314973D+02  0.128354D+02  0.230033D+02 -0.198343D+02 -0.826402D+01
      5   0.606884D+01  0.132994D+02  0.545428D+01 -0.580993D+01 -0.428353D+01
      6  -0.508149D+01 -0.887694D+01 -0.377931D+01  0.563276D+01  0.504913D+01
               196           197           198           199           200 
      1  -0.152514D+02  0.294986D+01  0.703320D+01 -0.919617D+00 -0.201147D+01
      2   0.338087D+01  0.544977D+01 -0.304472D+01  0.168775D+01  0.167110D+01
      3   0.118705D+02 -0.839963D+01 -0.398847D+01 -0.768130D+00  0.340370D+00
      4   0.215015D+02 -0.171970D+02 -0.135566D+02 -0.172974D+01  0.201469D+01
      5   0.153238D+02 -0.871509D+01 -0.984756D+01  0.297439D+01 -0.145034D+01
      6  -0.107344D+02  0.762974D+01  0.647188D+01 -0.244372D-01  0.410420D+00
               201           202           203           204           205 
      1   0.169720D+01 -0.217652D+01 -0.264684D+01  0.590236D+01  0.319546D+01
      2  -0.129831D+01 -0.182569D+01  0.316349D+01 -0.346900D+01 -0.300488D+01
      3  -0.398891D+00  0.400221D+01 -0.516650D+00 -0.243337D+01 -0.190582D+00
      4  -0.215151D+01  0.156688D+01 -0.197686D+01  0.314492D+01 -0.228947D+01
      5   0.415063D+01 -0.995644D+00  0.136216D+01 -0.243176D+01  0.354007D+01
      6  -0.332853D+00 -0.109970D-01 -0.447661D+01  0.375798D+01 -0.669090D+00
               206           207           208           209           210 
      1   0.633475D+01 -0.670268D+01 -0.831948D+00  0.181749D+01 -0.291238D+01
      2  -0.522078D+01  0.153483D+01 -0.102215D+01 -0.883805D+00  0.694409D+00
      3  -0.111396D+01  0.516785D+01  0.185410D+01 -0.933680D+00  0.221797D+01
      4   0.370063D+01 -0.446928D+01  0.176241D+01  0.245213D+01 -0.231671D+01
      5  -0.369587D+01  0.538284D+01 -0.265090D+01 -0.255555D+01  0.532620D+01
      6   0.413988D+01 -0.649041D+01 -0.254944D+01  0.116394D+00  0.275883D+00
               211           212           213           214           215 
      1   0.299564D+01 -0.964172D+01  0.103918D+02 -0.316028D+01  0.986025D+01
      2  -0.373053D+01  0.407731D+01 -0.104771D+01  0.179967D+01 -0.221220D+01
      3   0.734894D+00  0.556441D+01 -0.934413D+01  0.136060D+01 -0.764805D+01
      4   0.336449D+00  0.561904D+01 -0.578901D+01 -0.286088D+01 -0.559073D+01
      5  -0.359850D+01 -0.695304D+01  0.992726D+01  0.338323D+01  0.819590D+01
      6  -0.270554D+00 -0.807406D+01  0.855336D+01  0.174265D+01  0.902606D+01
               216           217           218           219           220 
      1  -0.218578D+02  0.413722D+01 -0.921319D+01  0.458219D+01 -0.108256D+02
      2  -0.316821D+01  0.360808D-01  0.780766D+01 -0.919524D+00  0.447007D+01
      3   0.250260D+02 -0.417330D+01  0.140553D+01 -0.366267D+01  0.635551D+01
      4   0.702341D+01 -0.319839D+01 -0.338341D+01  0.155882D+01  0.866102D+01
      5  -0.191260D+02  0.500304D+00 -0.613555D-01 -0.389296D+01 -0.703446D+01
      6  -0.116219D+02 -0.132360D+01 -0.306224D+01  0.165205D+01  0.217126D+01
               221           222           223           224           225 
      1  -0.212595D+02  0.151079D+01  0.296292D+01  0.980577D+00 -0.608916D+01
      2   0.340238D+02 -0.921543D+00 -0.172913D+01  0.239726D+01  0.275316D+01
      3  -0.127643D+02 -0.589248D+00 -0.123379D+01 -0.337784D+01  0.333600D+01
      4  -0.474551D+02  0.683557D+01  0.225103D+01 -0.283992D+01 -0.339407D+01
      5   0.432452D+01 -0.981540D+01  0.449493D+00 -0.355665D+01  0.144862D+01
      6  -0.164629D+02  0.746536D+01 -0.483004D-01  0.509961D+01 -0.916591D+00
               226           227           228           229           230 
      1  -0.425454D+01  0.392079D+01  0.171038D+02  0.524961D+01 -0.929112D+01
      2  -0.195943D+01 -0.474282D-01  0.874459D+00 -0.242758D+01  0.345911D+01
      3   0.621396D+01 -0.387336D+01 -0.179783D+02 -0.282203D+01  0.583201D+01
      4   0.420728D+01 -0.534649D+01 -0.742172D+00 -0.111293D+01  0.163491D+01
      5   0.994846D+00  0.992944D+00 -0.977086D+01  0.266817D+01  0.488819D+01
      6   0.153856D+01 -0.341333D+01 -0.550370D+00 -0.125438D+01  0.303461D+01
               231           232           233           234           235 
      1  -0.699849D+01  0.174082D+02 -0.528435D+01 -0.250736D+02  0.866620D+02
      2  -0.400305D+01 -0.612421D+01 -0.163188D+01 -0.103897D+02 -0.482829D+02
      3   0.110015D+02 -0.112840D+02  0.691624D+01  0.354633D+02 -0.383791D+02
      4   0.654997D+01 -0.389060D+01  0.703654D+01  0.590313D+01 -0.134843D+02
      5   0.110934D+02  0.287793D+01  0.405055D+01  0.278121D+02  0.430522D+02
      6   0.685550D+01 -0.133420D+01  0.523764D+01  0.228986D+01 -0.131352D+01
               236           237           238           239           240 
      1  -0.349064D+01  0.223034D+02  0.465152D+01  0.660841D+01  0.119568D+01
      2   0.644890D+00 -0.158121D+02 -0.342546D+01 -0.187495D+01 -0.193059D+01
      3   0.284575D+01 -0.649136D+01 -0.122606D+01 -0.473346D+01  0.734911D+00
      4   0.120526D+02 -0.349796D+01  0.107318D+02 -0.293290D+01  0.366319D+01
      5  -0.169663D+01  0.233838D+02  0.294312D+01  0.468554D+01  0.324819D+01
      6   0.359041D+01 -0.165438D+01  0.371453D+01 -0.605937D+00  0.215994D+01
               241           242           243 
      1   0.125508D+02 -0.506188D+00  0.934056D+01
      2  -0.105610D+02 -0.275161D+00 -0.944308D+01
      3  -0.198975D+01  0.781349D+00  0.102519D+00
      4  -0.158561D+01  0.179154D+01 -0.311737D+00
      5   0.181019D+02  0.450907D+00  0.129975D+02
      6  -0.199388D+01  0.165631D+01 -0.372413D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sun Sep 26 20:11:15 2021, MaxMem=  6442450944 cpu:           10414.1 elap:            1305.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.12708 -10.27480 -10.21265 -10.20862 -10.20145
 Alpha  occ. eigenvalues --  -10.19557 -10.19498 -10.19057 -10.18877 -10.18607
 Alpha  occ. eigenvalues --  -10.18205  -1.02998  -0.87149  -0.80207  -0.75143
 Alpha  occ. eigenvalues --   -0.73459  -0.69446  -0.67997  -0.61733  -0.60060
 Alpha  occ. eigenvalues --   -0.54738  -0.52155  -0.49038  -0.48629  -0.47212
 Alpha  occ. eigenvalues --   -0.45572  -0.44675  -0.44147  -0.42780  -0.41301
 Alpha  occ. eigenvalues --   -0.40276  -0.39701  -0.38840  -0.37384  -0.37176
 Alpha  occ. eigenvalues --   -0.36742  -0.35891  -0.33088  -0.32109  -0.31225
 Alpha  occ. eigenvalues --   -0.27242  -0.25457
 Alpha virt. eigenvalues --   -0.06455   0.00664   0.02033   0.03067   0.03457
 Alpha virt. eigenvalues --    0.04206   0.05258   0.05752   0.06108   0.07048
 Alpha virt. eigenvalues --    0.07769   0.08204   0.08542   0.09300   0.10131
 Alpha virt. eigenvalues --    0.10231   0.10983   0.11503   0.11732   0.12352
 Alpha virt. eigenvalues --    0.12899   0.13246   0.14570   0.14805   0.15377
 Alpha virt. eigenvalues --    0.15545   0.16039   0.16740   0.17343   0.17942
 Alpha virt. eigenvalues --    0.18793   0.20024   0.20492   0.20610   0.20875
 Alpha virt. eigenvalues --    0.21761   0.22195   0.23331   0.24150   0.24931
 Alpha virt. eigenvalues --    0.25363   0.26454   0.26605   0.26918   0.27811
 Alpha virt. eigenvalues --    0.28350   0.29095   0.29690   0.30412   0.30664
 Alpha virt. eigenvalues --    0.30802   0.31502   0.31839   0.32391   0.33028
 Alpha virt. eigenvalues --    0.33262   0.33419   0.34104   0.34125   0.34383
 Alpha virt. eigenvalues --    0.35192   0.35380   0.35520   0.35865   0.36192
 Alpha virt. eigenvalues --    0.36679   0.37116   0.37862   0.38076   0.38442
 Alpha virt. eigenvalues --    0.38660   0.39317   0.39726   0.40472   0.40844
 Alpha virt. eigenvalues --    0.41082   0.41543   0.42209   0.42381   0.42506
 Alpha virt. eigenvalues --    0.43012   0.43259   0.44277   0.44930   0.45722
 Alpha virt. eigenvalues --    0.45967   0.46245   0.46621   0.47267   0.47685
 Alpha virt. eigenvalues --    0.48051   0.48442   0.48937   0.49422   0.49585
 Alpha virt. eigenvalues --    0.50429   0.50823   0.51431   0.51568   0.52018
 Alpha virt. eigenvalues --    0.52806   0.53420   0.53756   0.54494   0.54708
 Alpha virt. eigenvalues --    0.55233   0.55617   0.56474   0.57033   0.57425
 Alpha virt. eigenvalues --    0.57885   0.58407   0.58756   0.59746   0.60436
 Alpha virt. eigenvalues --    0.61122   0.61434   0.62046   0.62979   0.63357
 Alpha virt. eigenvalues --    0.64681   0.65090   0.65170   0.65752   0.66516
 Alpha virt. eigenvalues --    0.67468   0.67922   0.68443   0.68956   0.70027
 Alpha virt. eigenvalues --    0.70884   0.71281   0.72923   0.73699   0.74312
 Alpha virt. eigenvalues --    0.74826   0.77185   0.77461   0.77797   0.78570
 Alpha virt. eigenvalues --    0.79079   0.80034   0.80658   0.83533   0.84164
 Alpha virt. eigenvalues --    0.86638   0.88928   0.89977   0.91731   0.93596
 Alpha virt. eigenvalues --    0.94312   0.95107   0.96163   0.96956   0.97186
 Alpha virt. eigenvalues --    0.98113   0.98796   0.99401   0.99882   1.00808
 Alpha virt. eigenvalues --    1.01467   1.02154   1.02331   1.03338   1.03928
 Alpha virt. eigenvalues --    1.04387   1.06257   1.07025   1.08034   1.11000
 Alpha virt. eigenvalues --    1.11707   1.13422   1.16658   1.17282   1.17371
 Alpha virt. eigenvalues --    1.19165   1.20379   1.21603   1.23001   1.24225
 Alpha virt. eigenvalues --    1.25375   1.27919   1.28204   1.29156   1.30205
 Alpha virt. eigenvalues --    1.30813   1.31931   1.35206   1.36496   1.37107
 Alpha virt. eigenvalues --    1.38385   1.40356   1.41014   1.41621   1.46837
 Alpha virt. eigenvalues --    1.47871   1.51236   1.51696   1.53479   1.55106
 Alpha virt. eigenvalues --    1.56007   1.57127   1.57913   1.58486   1.60169
 Alpha virt. eigenvalues --    1.62140   1.62898   1.64572   1.65174   1.68039
 Alpha virt. eigenvalues --    1.69461   1.72217   1.72824   1.74388   1.75646
 Alpha virt. eigenvalues --    1.77681   1.77993   1.78994   1.80664   1.82642
 Alpha virt. eigenvalues --    1.84511   1.84745   1.85836   1.86845   1.87570
 Alpha virt. eigenvalues --    1.88413   1.90503   1.92510   1.93203   1.95981
 Alpha virt. eigenvalues --    1.96906   1.97760   1.98614   2.00290   2.00472
 Alpha virt. eigenvalues --    2.01012   2.03110   2.04772   2.05067   2.05690
 Alpha virt. eigenvalues --    2.07628   2.08477   2.10780   2.12772   2.14026
 Alpha virt. eigenvalues --    2.15637   2.16764   2.19319   2.19820   2.20813
 Alpha virt. eigenvalues --    2.22222   2.23067   2.23650   2.25991   2.26826
 Alpha virt. eigenvalues --    2.27684   2.29617   2.30442   2.31766   2.34498
 Alpha virt. eigenvalues --    2.37763   2.38562   2.39713   2.41364   2.43019
 Alpha virt. eigenvalues --    2.45895   2.47384   2.48291   2.51003   2.53565
 Alpha virt. eigenvalues --    2.55139   2.55602   2.56729   2.58537   2.60139
 Alpha virt. eigenvalues --    2.62366   2.64487   2.66899   2.68854   2.70117
 Alpha virt. eigenvalues --    2.71674   2.73330   2.74650   2.77256   2.81073
 Alpha virt. eigenvalues --    2.86244   2.90024   2.91127   2.91956   2.94382
 Alpha virt. eigenvalues --    2.97194   3.00294   3.01856   3.04317   3.05766
 Alpha virt. eigenvalues --    3.07175   3.10588   3.12076   3.13526   3.14450
 Alpha virt. eigenvalues --    3.15497   3.19295   3.20321   3.20394   3.23435
 Alpha virt. eigenvalues --    3.26867   3.40252   3.48117   3.83960
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.139723  -0.780067   0.192491  -0.200690  -0.025186   0.002719
     2  C   -0.780067  12.559500  -1.057966   0.296830   0.053683   0.000678
     3  C    0.192491  -1.057966   8.262593  -0.875546  -0.502584   0.152771
     4  C   -0.200690   0.296830  -0.875546   8.796821  -0.095296   0.002780
     5  C   -0.025186   0.053683  -0.502584  -0.095296   9.820696  -0.932192
     6  C    0.002719   0.000678   0.152771   0.002780  -0.932192   6.098928
     7  O   -0.000200   0.000909   0.002906   0.097619  -0.149948   0.314408
     8  C   -0.163116  -1.099883   0.053718   0.020201   0.026041   0.000186
     9  C    0.027288  -0.508832   0.235879  -0.019380  -0.015664  -0.000074
    10  C   -0.048292   0.335289   0.044391  -0.043842   0.083861  -0.002126
    11  C   -0.000989  -0.000529   0.015362  -0.122916   0.079760   0.484962
    12  H    0.077203  -0.060526   0.162810  -0.012777  -0.001985   0.000097
    13  H   -0.115682  -0.140189   0.028213  -0.016561   0.000744   0.000000
    14  H    0.084701  -0.196915  -0.775274  -0.561057  -0.426207   0.028026
    15  H    0.021336   0.082932   0.027048  -0.116908   0.006478   0.001959
    16  H   -0.015751   0.002164   0.031941   0.039378   0.005029   0.000130
    17  H    0.207693   0.343604  -0.089824   0.013694  -0.013059  -0.000198
    18  H   -0.152153   0.226229  -0.000974  -0.002152   0.002931   0.000069
    19  H   -0.135689   0.208975  -0.020073   0.048545   0.006303   0.000599
    20  H   -0.000568  -0.056385  -0.061637   0.002488   0.010098   0.000025
    21  H    0.009800   0.271207   0.034129   0.001189  -0.008634   0.001064
    22  H    0.032816   0.250309   0.028301  -0.001247  -0.001209  -0.000021
    23  H    0.011832  -0.162059  -0.527711  -0.735843  -1.280089  -0.003846
    24  H    0.001584  -0.011335  -0.083604  -0.328032   0.086561  -0.261086
    25  H   -0.000346   0.000107   0.004121  -0.006270  -0.068317   0.116295
    26  H    0.001626  -0.000918   0.008802   0.002664  -0.066132   0.108562
    27  H    0.000021  -0.000080  -0.001805   0.034781   0.053605   0.131233
               7          8          9         10         11         12
     1  C   -0.000200  -0.163116   0.027288  -0.048292  -0.000989   0.077203
     2  C    0.000909  -1.099883  -0.508832   0.335289  -0.000529  -0.060526
     3  C    0.002906   0.053718   0.235879   0.044391   0.015362   0.162810
     4  C    0.097619   0.020201  -0.019380  -0.043842  -0.122916  -0.012777
     5  C   -0.149948   0.026041  -0.015664   0.083861   0.079760  -0.001985
     6  C    0.314408   0.000186  -0.000074  -0.002126   0.484962   0.000097
     7  O    8.151285  -0.000155  -0.000046  -0.000650  -0.005295   0.000000
     8  C   -0.000155   5.753095  -0.073346   0.065662   0.000098  -0.079143
     9  C   -0.000046  -0.073346   5.066565  -0.053553   0.000149   0.075900
    10  C   -0.000650   0.065662  -0.053553   5.008774   0.000788  -0.128940
    11  C   -0.005295   0.000098   0.000149   0.000788   4.261094  -0.000009
    12  H    0.000000  -0.079143   0.075900  -0.128940  -0.000009   1.409860
    13  H   -0.000001   0.104912   0.097821   0.097551   0.000014  -0.449987
    14  H    0.006612  -0.296322   0.119873  -0.500358  -0.001744   0.057413
    15  H   -0.000205  -0.006935  -0.020380   0.120331  -0.000489   0.095688
    16  H   -0.000117  -0.005007   0.002920   0.245463  -0.000032  -0.174352
    17  H    0.000042  -0.012986  -0.036094  -0.030667  -0.000061   0.001636
    18  H   -0.000016   0.048247  -0.005352   0.015256   0.000034  -0.003911
    19  H   -0.000257   0.002448   0.012702   0.000319   0.000167  -0.002512
    20  H   -0.000056   0.522988  -0.043489   0.034864  -0.000023  -0.006932
    21  H    0.000004  -0.139874   0.001967  -0.014167   0.000018   0.001507
    22  H    0.000004  -0.169150   0.059233  -0.017637   0.000005  -0.010956
    23  H    0.025447  -0.026429  -0.006703  -0.094485  -0.121246   0.000674
    24  H   -0.046584   0.000425  -0.000674  -0.000970  -0.006607  -0.000028
    25  H    0.003494   0.000007   0.000023   0.000298   0.202679   0.000000
    26  H    0.005995  -0.000024   0.000103  -0.000117   0.200988   0.000002
    27  H   -0.018204  -0.000000   0.000008  -0.000063   0.226073   0.000000
              13         14         15         16         17         18
     1  C   -0.115682   0.084701   0.021336  -0.015751   0.207693  -0.152153
     2  C   -0.140189  -0.196915   0.082932   0.002164   0.343604   0.226229
     3  C    0.028213  -0.775274   0.027048   0.031941  -0.089824  -0.000974
     4  C   -0.016561  -0.561057  -0.116908   0.039378   0.013694  -0.002152
     5  C    0.000744  -0.426207   0.006478   0.005029  -0.013059   0.002931
     6  C    0.000000   0.028026   0.001959   0.000130  -0.000198   0.000069
     7  O   -0.000001   0.006612  -0.000205  -0.000117   0.000042  -0.000016
     8  C    0.104912  -0.296322  -0.006935  -0.005007  -0.012986   0.048247
     9  C    0.097821   0.119873  -0.020380   0.002920  -0.036094  -0.005352
    10  C    0.097551  -0.500358   0.120331   0.245463  -0.030667   0.015256
    11  C    0.000014  -0.001744  -0.000489  -0.000032  -0.000061   0.000034
    12  H   -0.449987   0.057413   0.095688  -0.174352   0.001636  -0.003911
    13  H    1.946227  -0.041556  -0.193718   0.117657  -0.041846   0.037072
    14  H   -0.041556   3.636724   0.087704  -0.202993   0.005337  -0.005112
    15  H   -0.193718   0.087704   1.313292  -0.410006   0.013441   0.001622
    16  H    0.117657  -0.202993  -0.410006   1.904897  -0.002353   0.002257
    17  H   -0.041846   0.005337   0.013441  -0.002353   0.891840  -0.100253
    18  H    0.037072  -0.005112   0.001622   0.002257  -0.100253   1.176232
    19  H    0.000076  -0.003627   0.000810   0.001667  -0.061918  -0.156457
    20  H    0.004178  -0.083250   0.000011   0.001925  -0.003336   0.006856
    21  H   -0.001449   0.029504  -0.000699   0.000148  -0.001606  -0.021858
    22  H    0.000457   0.014903  -0.000682   0.000381  -0.002203   0.015496
    23  H   -0.001456   0.282163  -0.020839  -0.005394   0.018714   0.000821
    24  H   -0.000027  -0.043393  -0.000606   0.000347   0.000476   0.000248
    25  H   -0.000001   0.000172  -0.000151   0.000065   0.000436   0.000020
    26  H    0.000002   0.000245  -0.000128   0.000000  -0.000005  -0.000054
    27  H   -0.000000  -0.000125   0.000020   0.000001   0.000032  -0.000000
              19         20         21         22         23         24
     1  C   -0.135689  -0.000568   0.009800   0.032816   0.011832   0.001584
     2  C    0.208975  -0.056385   0.271207   0.250309  -0.162059  -0.011335
     3  C   -0.020073  -0.061637   0.034129   0.028301  -0.527711  -0.083604
     4  C    0.048545   0.002488   0.001189  -0.001247  -0.735843  -0.328032
     5  C    0.006303   0.010098  -0.008634  -0.001209  -1.280089   0.086561
     6  C    0.000599   0.000025   0.001064  -0.000021  -0.003846  -0.261086
     7  O   -0.000257  -0.000056   0.000004   0.000004   0.025447  -0.046584
     8  C    0.002448   0.522988  -0.139874  -0.169150  -0.026429   0.000425
     9  C    0.012702  -0.043489   0.001967   0.059233  -0.006703  -0.000674
    10  C    0.000319   0.034864  -0.014167  -0.017637  -0.094485  -0.000970
    11  C    0.000167  -0.000023   0.000018   0.000005  -0.121246  -0.006607
    12  H   -0.002512  -0.006932   0.001507  -0.010956   0.000674  -0.000028
    13  H    0.000076   0.004178  -0.001449   0.000457  -0.001456  -0.000027
    14  H   -0.003627  -0.083250   0.029504   0.014903   0.282163  -0.043393
    15  H    0.000810   0.000011  -0.000699  -0.000682  -0.020839  -0.000606
    16  H    0.001667   0.001925   0.000148   0.000381  -0.005394   0.000347
    17  H   -0.061918  -0.003336  -0.001606  -0.002203   0.018714   0.000476
    18  H   -0.156457   0.006856  -0.021858   0.015496   0.000821   0.000248
    19  H    0.889217  -0.000614   0.028659  -0.021599  -0.018946  -0.000308
    20  H   -0.000614   0.988723  -0.121970  -0.123526  -0.000938   0.001232
    21  H    0.028659  -0.121970   0.823554   0.010448   0.000980  -0.001237
    22  H   -0.021599  -0.123526   0.010448   0.901749   0.001692  -0.000009
    23  H   -0.018946  -0.000938   0.000980   0.001692   3.214316   0.177996
    24  H   -0.000308   0.001232  -0.001237  -0.000009   0.177996   1.334468
    25  H   -0.000144  -0.000000   0.000006   0.000001  -0.000900  -0.007063
    26  H   -0.000351  -0.000006   0.000044  -0.000001  -0.020395  -0.008755
    27  H   -0.000011   0.000000  -0.000001   0.000000   0.028630   0.010322
              25         26         27
     1  C   -0.000346   0.001626   0.000021
     2  C    0.000107  -0.000918  -0.000080
     3  C    0.004121   0.008802  -0.001805
     4  C   -0.006270   0.002664   0.034781
     5  C   -0.068317  -0.066132   0.053605
     6  C    0.116295   0.108562   0.131233
     7  O    0.003494   0.005995  -0.018204
     8  C    0.000007  -0.000024  -0.000000
     9  C    0.000023   0.000103   0.000008
    10  C    0.000298  -0.000117  -0.000063
    11  C    0.202679   0.200988   0.226073
    12  H    0.000000   0.000002   0.000000
    13  H   -0.000001   0.000002  -0.000000
    14  H    0.000172   0.000245  -0.000125
    15  H   -0.000151  -0.000128   0.000020
    16  H    0.000065   0.000000   0.000001
    17  H    0.000436  -0.000005   0.000032
    18  H    0.000020  -0.000054  -0.000000
    19  H   -0.000144  -0.000351  -0.000011
    20  H   -0.000000  -0.000006   0.000000
    21  H    0.000006   0.000044  -0.000001
    22  H    0.000001  -0.000001   0.000000
    23  H   -0.000900  -0.020395   0.028630
    24  H   -0.007063  -0.008755   0.010322
    25  H    0.594604   0.055143  -0.064867
    26  H    0.055143   0.626109  -0.074743
    27  H   -0.064867  -0.074743   1.123559
 Mulliken charges:
               1
     1  C    1.827896
     2  C   -4.556732
     3  C    0.711521
     4  C   -0.218474
     5  C   -0.649287
     6  C   -0.245949
     7  O   -0.386991
     8  C    1.474342
     9  C    1.083155
    10  C    0.883021
    11  C    0.787749
    12  H    0.049268
    13  H   -0.432450
    14  H   -0.215445
    15  H   -0.000923
    16  H   -0.540365
    17  H   -0.100536
    18  H   -0.085098
    19  H    0.222018
    20  H   -0.070657
    21  H    0.097268
    22  H    0.032445
    23  H    0.264015
    24  H    0.186660
    25  H    0.170589
    26  H    0.161345
    27  H   -0.448385
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    1.864280
     2  C   -4.556732
     3  C    0.496077
     4  C    0.045541
     5  C   -0.462627
     6  C   -0.245949
     7  O   -0.386991
     8  C    1.533397
     9  C    0.699973
    10  C    0.341733
    11  C    0.671298
 Electronic spatial extent (au):  <R**2>=           2484.2589
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.7446    Y=             -1.4922    Z=              1.5703  Tot=              4.3260
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -84.6787   YY=            -70.4234   ZZ=            -68.7850
   XY=             -5.9206   XZ=              6.9538   YZ=              0.1375
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -10.0497   YY=              4.2056   ZZ=              5.8440
   XY=             -5.9206   XZ=              6.9538   YZ=              0.1375
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -64.9717  YYY=             -0.9262  ZZZ=             -4.4212  XYY=              1.4480
  XXY=            -22.4570  XXZ=             27.6332  XZZ=             -0.4276  YZZ=              0.3721
  YYZ=              1.8457  XYZ=              3.4368
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2824.8485 YYYY=           -472.5401 ZZZZ=           -427.9387 XXXY=            -97.6922
 XXXZ=             98.1808 YYYX=              5.9973 YYYZ=             -2.6002 ZZZX=              3.8339
 ZZZY=             -1.0963 XXYY=           -511.5602 XXZZ=           -492.4290 YYZZ=           -148.4384
 XXYZ=             16.5078 YYXZ=              0.1907 ZZXY=              0.8386
 N-N= 6.080930801077D+02 E-N=-2.294116271448D+03  KE= 4.602716499788D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sun Sep 26 20:11:15 2021, MaxMem=  6442450944 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.42079279D+00-5.59810245D-01 5.92930608D-01
 Polarizability= 1.60911171D+02 7.13297168D+00 1.05896492D+02
                -3.02958785D+00-4.33051648D+00 1.07218356D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.9443    1.9435        4.3116    4.3109
 2     -1.9443   -1.9435        2.3003    2.3003      -32.2673  -32.2695
 3     -4.3116   -4.3109       31.7370   31.7412       -2.3016   -2.3003
 4     -2.3003   -2.3003        0.0000    0.0000       -4.3101   -4.3109
 5      0.5304    0.5283        4.3101    4.3109        1.9440    1.9435
 6      2.3016    2.3003       -1.9440   -1.9435       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -5.8305   -5.8305       12.9326   12.9326
 2     -6.9008   -6.9008        0.0000    0.0000       12.9326   12.9326
 3     -6.9008   -6.9008       -5.8305   -5.8305       -0.0000    0.0000
 4     -5.8305   -5.8305        6.9008    6.9008      -96.8085  -96.8085
 5    -12.9326  -12.9326       95.2236   95.2236       -6.9008   -6.9008
 6      1.5849    1.5849       12.9326   12.9326        5.8305    5.8305
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0617    0.0000       -7.7402   -7.7741      -17.2036  -17.2435
 2      7.7284    7.7741       -9.2659   -9.2010      129.1312  129.0780
 3     17.3102   17.2435     -126.9615 -126.9648        9.2574    9.2010
 4      9.2507    9.2010       -0.0549    0.0000       17.2391   17.2435
 5     -2.1156   -2.1132      -17.3202  -17.2435       -7.8139   -7.7741
 6     -9.2009   -9.2010        7.7804    7.7741       -0.0313    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0725    0.0000      -29.0317  -28.9543      -31.8034  -31.9057
 2     28.9822   28.9543       18.1097   18.0876       18.7241   18.6408
 3     31.9647   31.9057       60.7301   60.9110      -18.0629  -18.0876
 4    -18.1179  -18.0876       -0.0468    0.0000       31.8376   31.9057
 5    -79.7421  -79.5518      -31.9607  -31.9057      -29.0575  -28.9543
 6     18.0990   18.0876       29.0062   28.9543        0.0206    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -34.5067  -34.4844      -40.0472  -40.0139      -12.7620  -12.7871
 2    -46.3017  -46.1970      -63.6809  -63.6093      -12.8847  -12.7871
 3    -46.2949  -46.1970      -39.9983  -40.0139       -2.9082   -2.7456
 4     23.5401   23.5954       11.8720   11.7126       39.7034   39.8750
 5     10.0434   10.0416       55.5219   55.8500      -11.2956  -11.7126
 6    -95.8950  -95.7250      -10.1043  -10.0416      -23.6110  -23.5954
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0003    0.0001    0.0008    2.3280    3.9918    9.0403
 Low frequencies ---   34.0682   64.4603   81.0821
 Diagonal vibrational polarizability:
       18.5500352      56.4003859      26.6129305
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     34.0659                64.4602                81.0789
 Red. masses --      4.0708                 3.1521                 2.9689
 Frc consts  --      0.0028                 0.0077                 0.0115
 IR Inten    --      3.2274                 0.4045                 1.5043
 RamAct Fr= 1--      2.6853                 1.0765                 0.3619
  Dep-P Fr= 1--      0.7286                 0.7217                 0.4929
  Dep-U Fr= 1--      0.8430                 0.8383                 0.6604
 Alpha2 Fr= 1--      0.0010                 0.0005                 0.0018
 Beta2  Fr= 1--      0.3773                 0.1504                 0.0398
 AlphaG Fr= 1--     -0.0016                 0.0011                 0.0048
 Gamma2 Fr= 1--     -0.1094                 0.1821                 0.1124
 Delta2 Fr= 1--     -0.0072                -0.0591                 0.0305
 Raman1 Fr= 1--      10.741                  4.306                  1.448
 ROA1   Fr= 1--     -10.732                 15.595                 11.769
 CID1   Fr= 1--      -0.999                  3.622                  8.130
 Raman2 Fr= 1--       4.527                  1.805                  0.478
 ROA2   Fr= 1--      -2.568                  4.844                  2.454
 CID2   Fr= 1--      -0.567                  2.684                  5.133
 Raman3 Fr= 1--       9.055                  3.610                  0.956
 ROA3   Fr= 1--     -10.732                 15.595                 11.769
 CID3   Fr= 1--      -1.185                  4.320                 12.311
 RC180  Fr= 1--       0.686                  0.677                  0.321
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10   0.09  -0.03     0.05  -0.12  -0.00     0.22   0.04  -0.01
     2   6     0.05   0.01  -0.03     0.06  -0.02   0.00     0.04  -0.01   0.01
     3   6    -0.01  -0.10  -0.03    -0.01  -0.09  -0.03    -0.02   0.03  -0.10
     4   6    -0.01  -0.12  -0.05    -0.01  -0.12  -0.05    -0.01   0.01  -0.13
     5   6    -0.04   0.00   0.02    -0.03  -0.07  -0.03     0.01   0.03  -0.07
     6   6    -0.04   0.04   0.03    -0.04   0.04   0.00    -0.03  -0.01   0.03
     7   8    -0.09   0.25   0.16    -0.05   0.02  -0.03     0.04  -0.06   0.09
     8   6     0.12   0.01  -0.11     0.21   0.04   0.08    -0.08  -0.04   0.02
     9   6    -0.03   0.03   0.07    -0.04   0.09  -0.04     0.02  -0.05   0.14
    10   6    -0.08  -0.06   0.07    -0.11  -0.02  -0.02    -0.00   0.02  -0.08
    11   6     0.02  -0.18  -0.11    -0.05   0.21   0.11    -0.17   0.03   0.08
    12   1    -0.04   0.01   0.08     0.02   0.16  -0.05    -0.15  -0.07   0.25
    13   1    -0.02   0.11   0.12    -0.11   0.15  -0.07     0.17  -0.11   0.25
    14   1    -0.02  -0.15  -0.05    -0.01  -0.09  -0.03    -0.06   0.07  -0.09
    15   1    -0.10  -0.03   0.10    -0.18  -0.04  -0.01     0.12  -0.03  -0.17
    16   1    -0.15  -0.11   0.10    -0.15  -0.03  -0.02    -0.12   0.09  -0.11
    17   1     0.05   0.10   0.03    -0.04  -0.15  -0.06     0.29   0.06  -0.01
    18   1     0.14   0.18  -0.01     0.08  -0.06   0.01     0.27   0.03   0.08
    19   1     0.15   0.06  -0.10     0.11  -0.21   0.03     0.24   0.08  -0.13
    20   1     0.08  -0.05  -0.10     0.20   0.11   0.08    -0.21  -0.07   0.04
    21   1     0.17  -0.03  -0.18     0.30  -0.07   0.09    -0.09   0.01  -0.10
    22   1     0.16   0.09  -0.09     0.26   0.12   0.11    -0.04  -0.07   0.11
    23   1     0.02  -0.22  -0.11     0.00  -0.12  -0.05    -0.02  -0.03  -0.16
    24   1    -0.07   0.11   0.09    -0.04  -0.08  -0.04     0.06   0.07  -0.05
    25   1     0.11  -0.18  -0.31    -0.05   0.20   0.26    -0.23   0.04   0.12
    26   1    -0.03  -0.38  -0.03    -0.05   0.33   0.04    -0.19   0.11   0.02
    27   1     0.01  -0.13  -0.09    -0.05   0.24   0.10    -0.18  -0.02   0.14
                      4                      5                      6
                      A                      A                      A
 Frequencies --    124.2661               147.2191               161.0704
 Red. masses --      1.0300                 3.3943                 2.8014
 Frc consts  --      0.0094                 0.0433                 0.0428
 IR Inten    --      0.0338                 1.4184                 2.0693
 RamAct Fr= 1--      0.0791                 0.7968                 0.4279
  Dep-P Fr= 1--      0.6952                 0.6926                 0.4657
  Dep-U Fr= 1--      0.8202                 0.8184                 0.6355
 Alpha2 Fr= 1--      0.0001                 0.0008                 0.0025
 Beta2  Fr= 1--      0.0108                 0.1087                 0.0453
 AlphaG Fr= 1--     -0.0005                -0.0338                -0.0166
 Gamma2 Fr= 1--     -0.0448                 0.0543                -0.4733
 Delta2 Fr= 1--     -0.0066                 0.1747                -0.2517
 Raman1 Fr= 1--       0.316                  3.187                  1.712
 ROA1   Fr= 1--      -4.514                 10.806                -53.491
 CID1   Fr= 1--     -14.275                  3.390                -31.251
 Raman2 Fr= 1--       0.130                  1.304                  0.544
 ROA2   Fr= 1--      -1.022                 -0.095                 -9.345
 CID2   Fr= 1--      -7.884                 -0.072                -17.182
 Raman3 Fr= 1--       0.259                  2.608                  1.088
 ROA3   Fr= 1--      -4.514                 10.806                -53.491
 CID3   Fr= 1--     -17.404                  4.143                -49.176
 RC180  Fr= 1--       0.640                  0.637                  0.271
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.03   0.01  -0.02    -0.03  -0.08  -0.02
     2   6     0.00   0.00   0.00     0.01  -0.02  -0.01     0.00  -0.00  -0.02
     3   6    -0.00   0.00  -0.00    -0.00  -0.04  -0.01    -0.00  -0.02  -0.00
     4   6    -0.00   0.01  -0.00    -0.01  -0.05   0.02     0.02   0.11  -0.07
     5   6     0.00  -0.00  -0.01    -0.08   0.29   0.23    -0.00   0.16  -0.07
     6   6    -0.00   0.01   0.00    -0.02   0.06   0.05    -0.03   0.04  -0.03
     7   8     0.01  -0.03  -0.01    -0.00  -0.14  -0.12     0.07  -0.05   0.03
     8   6     0.00   0.00   0.01     0.05  -0.03  -0.06     0.07   0.02   0.04
     9   6     0.00   0.00   0.00    -0.01  -0.02   0.01     0.02  -0.00  -0.05
    10   6    -0.00   0.00   0.00    -0.03  -0.02  -0.05     0.06  -0.07   0.20
    11   6    -0.01   0.01   0.01     0.04   0.01   0.00    -0.18  -0.05  -0.04
    12   1     0.00   0.00   0.00    -0.05  -0.01   0.04     0.19  -0.05  -0.18
    13   1    -0.00   0.00   0.00     0.02  -0.03   0.04    -0.12   0.10  -0.12
    14   1    -0.00   0.00  -0.00     0.03  -0.01   0.01    -0.11  -0.13  -0.06
    15   1     0.00   0.00   0.00    -0.03  -0.06  -0.09     0.03   0.12   0.39
    16   1    -0.00  -0.00   0.00    -0.06   0.03  -0.08     0.13  -0.30   0.32
    17   1     0.00  -0.00  -0.00     0.00   0.01   0.01    -0.04  -0.09  -0.05
    18   1     0.00  -0.01   0.00     0.06   0.06  -0.00    -0.04  -0.09  -0.03
    19   1     0.00  -0.00   0.00     0.07  -0.01  -0.06    -0.03  -0.10   0.03
    20   1    -0.00   0.01   0.01     0.01  -0.07  -0.06     0.08   0.08   0.04
    21   1     0.00   0.00   0.01     0.10  -0.06  -0.13     0.11  -0.03   0.06
    22   1     0.00   0.00   0.01     0.09   0.04  -0.04     0.09   0.05   0.05
    23   1    -0.00   0.03   0.01     0.04  -0.37  -0.18     0.08   0.11  -0.08
    24   1     0.01  -0.03  -0.02    -0.15   0.56   0.41     0.01   0.17  -0.06
    25   1     0.52  -0.11  -0.23     0.05   0.01  -0.05    -0.27  -0.01  -0.11
    26   1    -0.43  -0.39  -0.09     0.07  -0.06   0.05    -0.18  -0.03  -0.06
    27   1    -0.10   0.46   0.30     0.05  -0.01  -0.05    -0.19  -0.16   0.02
                      7                      8                      9
                      A                      A                      A
 Frequencies --    221.2189               245.1834               271.8350
 Red. masses --      1.3396                 1.7003                 2.6112
 Frc consts  --      0.0386                 0.0602                 0.1137
 IR Inten    --      0.0594                 0.6904                 0.6248
 RamAct Fr= 1--      0.5520                 0.7109                 3.9069
  Dep-P Fr= 1--      0.5561                 0.5317                 0.1647
  Dep-U Fr= 1--      0.7147                 0.6943                 0.2828
 Alpha2 Fr= 1--      0.0020                 0.0030                 0.0582
 Beta2  Fr= 1--      0.0657                 0.0823                 0.1841
 AlphaG Fr= 1--     -0.0001                 0.0108                 0.0028
 Gamma2 Fr= 1--     -0.5272                 0.1143                 0.8408
 Delta2 Fr= 1--     -0.0412                 0.2553                -0.0307
 Raman1 Fr= 1--       2.208                  2.844                 15.627
 ROA1   Fr= 1--     -51.929                 19.139                 79.736
 CID1   Fr= 1--     -23.520                  6.731                  5.102
 Raman2 Fr= 1--       0.789                  0.987                  2.210
 ROA2   Fr= 1--     -12.323                  0.700                 20.425
 CID2   Fr= 1--     -15.619                  0.710                  9.244
 Raman3 Fr= 1--       1.578                  1.974                  4.419
 ROA3   Fr= 1--     -51.929                 19.139                 79.736
 CID3   Fr= 1--     -32.909                  9.695                 18.043
 RC180  Fr= 1--       0.429                  0.389                 -0.434
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.00  -0.03    -0.08   0.05   0.08     0.16  -0.02  -0.06
     2   6     0.01   0.02  -0.02     0.03  -0.02   0.06     0.02  -0.01  -0.04
     3   6    -0.00  -0.02  -0.02     0.03  -0.00   0.05     0.02   0.04   0.02
     4   6     0.01  -0.05  -0.03     0.03  -0.01   0.00    -0.07   0.11   0.17
     5   6     0.01   0.00   0.02    -0.01   0.02  -0.04    -0.07  -0.04   0.05
     6   6     0.02  -0.00   0.01    -0.02   0.01  -0.04    -0.09  -0.00   0.02
     7   8     0.01  -0.00   0.00     0.00   0.01  -0.00    -0.13  -0.00  -0.05
     8   6    -0.10   0.01   0.03     0.10  -0.03  -0.04     0.05   0.01  -0.00
     9   6    -0.01   0.05  -0.03     0.03  -0.03   0.05     0.05  -0.04  -0.05
    10   6    -0.03  -0.01   0.05     0.03   0.01  -0.07     0.09  -0.00  -0.02
    11   6     0.04   0.01   0.01    -0.11   0.00  -0.03    -0.05  -0.03  -0.01
    12   1     0.06   0.06  -0.07    -0.05  -0.01   0.11     0.08  -0.05  -0.08
    13   1    -0.08   0.10  -0.05     0.11  -0.09   0.08     0.03  -0.05  -0.08
    14   1    -0.00  -0.06  -0.04     0.02   0.07   0.08     0.09   0.01   0.01
    15   1    -0.06   0.05   0.12     0.04  -0.09  -0.18     0.10   0.00  -0.02
    16   1    -0.03  -0.09   0.09    -0.00   0.14  -0.14     0.15   0.01  -0.03
    17   1    -0.04  -0.03  -0.04    -0.21   0.04   0.16    -0.11  -0.08  -0.06
    18   1     0.13   0.11   0.02    -0.10   0.17  -0.01     0.34   0.28   0.07
    19   1     0.16  -0.10  -0.09    -0.05  -0.01   0.11     0.40  -0.27  -0.21
    20   1     0.31   0.12  -0.03     0.54  -0.02  -0.12     0.13   0.05  -0.01
    21   1    -0.36   0.16   0.47    -0.05   0.01   0.32     0.05  -0.02   0.08
    22   1    -0.39  -0.28  -0.28    -0.15  -0.10  -0.41     0.02   0.01  -0.05
    23   1     0.01  -0.11  -0.07     0.06  -0.02  -0.01    -0.13   0.30   0.29
    24   1     0.01   0.06   0.05    -0.05   0.02  -0.03    -0.07  -0.22  -0.06
    25   1     0.05   0.00   0.03    -0.13   0.01  -0.05    -0.07  -0.03  -0.04
    26   1     0.04   0.01   0.02    -0.14   0.01  -0.06    -0.02  -0.06   0.03
    27   1     0.04   0.03   0.00    -0.12  -0.03   0.03    -0.04  -0.06  -0.04
                     10                     11                     12
                      A                      A                      A
 Frequencies --    290.3689               315.3975               351.5791
 Red. masses --      1.1987                 2.1583                 2.4524
 Frc consts  --      0.0595                 0.1265                 0.1786
 IR Inten    --      0.0608                 0.1001                 0.3846
 RamAct Fr= 1--      1.5654                 1.5512                 1.2679
  Dep-P Fr= 1--      0.1552                 0.4535                 0.7482
  Dep-U Fr= 1--      0.2687                 0.6241                 0.8560
 Alpha2 Fr= 1--      0.0239                 0.0094                 0.0000
 Beta2  Fr= 1--      0.0701                 0.1613                 0.1809
 AlphaG Fr= 1--     -0.0269                 0.0248                 0.0003
 Gamma2 Fr= 1--      0.0057                 0.0958                -0.7917
 Delta2 Fr= 1--      0.0601                 0.1156                -0.1626
 Raman1 Fr= 1--       6.262                  6.205                  5.072
 ROA1   Fr= 1--       2.471                 12.895                -81.209
 CID1   Fr= 1--       0.395                  2.078                -16.012
 Raman2 Fr= 1--       0.841                  1.936                  2.171
 ROA2   Fr= 1--      -0.344                  1.373                -17.700
 CID2   Fr= 1--      -0.409                  0.709                 -8.155
 Raman3 Fr= 1--       1.683                  3.872                  4.341
 ROA3   Fr= 1--       2.471                 12.895                -81.209
 CID3   Fr= 1--       1.468                  3.330                -18.707
 RC180  Fr= 1--      -0.463                  0.248                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.01  -0.01     0.00  -0.11  -0.06    -0.08   0.12  -0.05
     2   6     0.03   0.01  -0.01    -0.03  -0.00  -0.04    -0.02  -0.00  -0.06
     3   6     0.02  -0.01   0.01    -0.06   0.01  -0.05    -0.03   0.03  -0.11
     4   6    -0.01  -0.02   0.04    -0.05   0.15   0.00    -0.05  -0.02  -0.10
     5   6    -0.03  -0.01   0.02     0.02   0.03  -0.00    -0.01  -0.01   0.00
     6   6    -0.04  -0.00   0.00     0.02   0.02   0.04    -0.03  -0.04   0.03
     7   8    -0.05  -0.00  -0.02     0.04  -0.02   0.02    -0.07  -0.01   0.00
     8   6     0.01   0.01   0.01     0.08   0.02  -0.06     0.07   0.08   0.15
     9   6     0.03   0.02  -0.02    -0.07  -0.03   0.12     0.04  -0.13   0.02
    10   6     0.03  -0.00   0.00    -0.08  -0.01   0.01     0.10  -0.04   0.01
    11   6    -0.04  -0.01  -0.00     0.10  -0.01   0.01     0.07  -0.00   0.04
    12   1     0.06   0.03  -0.04    -0.24  -0.13   0.20    -0.05  -0.26   0.03
    13   1     0.01   0.03  -0.04     0.08  -0.02   0.27     0.14  -0.15   0.10
    14   1     0.05  -0.01   0.00    -0.09  -0.03  -0.08    -0.07   0.01  -0.11
    15   1     0.01   0.00   0.01    -0.01  -0.04  -0.04     0.23   0.06   0.05
    16   1     0.04  -0.01   0.00    -0.16   0.03  -0.01     0.09  -0.12   0.05
    17   1     0.58   0.12  -0.08     0.13  -0.12  -0.19    -0.12   0.15   0.11
    18   1    -0.14  -0.51  -0.01    -0.04  -0.31  -0.02    -0.12   0.21  -0.16
    19   1    -0.31   0.43   0.06    -0.08  -0.05   0.03    -0.10   0.15  -0.07
    20   1     0.12   0.05  -0.01     0.36   0.05  -0.11     0.13   0.37   0.16
    21   1    -0.05   0.04   0.12     0.05  -0.03   0.16     0.13  -0.07   0.35
    22   1    -0.06  -0.06  -0.07    -0.04   0.05  -0.28     0.09   0.06   0.20
    23   1    -0.01  -0.02   0.03    -0.10   0.32   0.11    -0.10  -0.10  -0.14
    24   1    -0.05  -0.02   0.02     0.11  -0.11  -0.10     0.05   0.07   0.04
    25   1    -0.04  -0.01  -0.01     0.10  -0.01  -0.00     0.12  -0.02   0.10
    26   1    -0.04  -0.01  -0.00     0.16  -0.05   0.07     0.11  -0.01   0.07
    27   1    -0.04  -0.01   0.00     0.12  -0.00  -0.07     0.08   0.07  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    372.0731               408.6510               454.2721
 Red. masses --      2.5053                 2.3769                 2.4725
 Frc consts  --      0.2043                 0.2339                 0.3006
 IR Inten    --      0.2199                 0.2040                 0.0456
 RamAct Fr= 1--      2.2968                 0.6425                 1.8987
  Dep-P Fr= 1--      0.2746                 0.7096                 0.4391
  Dep-U Fr= 1--      0.4309                 0.8302                 0.6103
 Alpha2 Fr= 1--      0.0254                 0.0004                 0.0122
 Beta2  Fr= 1--      0.1649                 0.0889                 0.1931
 AlphaG Fr= 1--      0.0343                -0.0102                -0.0593
 Gamma2 Fr= 1--      0.3144                 0.1018                -0.4742
 Delta2 Fr= 1--      0.2256                 0.1657                -0.1306
 Raman1 Fr= 1--       9.187                  2.570                  7.595
 ROA1   Fr= 1--      37.402                 15.077                -49.700
 CID1   Fr= 1--       4.071                  5.866                 -6.544
 Raman2 Fr= 1--       1.979                  1.067                  2.317
 ROA2   Fr= 1--       5.741                  1.117                -10.336
 CID2   Fr= 1--       2.901                  1.047                 -4.460
 Raman3 Fr= 1--       3.959                  2.134                  4.635
 ROA3   Fr= 1--      37.402                 15.077                -49.700
 CID3   Fr= 1--       9.448                  7.067                -10.723
 RC180  Fr= 1--      -0.138                  0.660                  0.221
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.15   0.02    -0.05   0.00  -0.12    -0.05   0.01   0.06
     2   6    -0.05  -0.09   0.02     0.04   0.04  -0.11     0.18  -0.01   0.00
     3   6    -0.04  -0.09   0.02     0.07  -0.09   0.00     0.05  -0.07  -0.11
     4   6    -0.01   0.09   0.04     0.05  -0.04   0.13    -0.01   0.08  -0.05
     5   6     0.01   0.04  -0.02     0.02  -0.02   0.06    -0.01   0.05  -0.03
     6   6     0.04   0.06   0.01     0.05   0.07  -0.02    -0.08   0.05   0.08
     7   8     0.09  -0.02   0.03     0.07   0.02  -0.04    -0.09  -0.05  -0.01
     8   6     0.03  -0.06   0.10    -0.05   0.08   0.07    -0.02  -0.07   0.02
     9   6    -0.08  -0.02  -0.11     0.01   0.00   0.08     0.10   0.11   0.03
    10   6    -0.10  -0.09  -0.08    -0.04  -0.05  -0.02    -0.03  -0.04  -0.02
    11   6     0.02   0.00  -0.02    -0.09   0.00  -0.05     0.04  -0.03   0.03
    12   1     0.04   0.11  -0.14    -0.19  -0.14   0.16     0.14   0.20   0.04
    13   1    -0.20  -0.04  -0.23     0.18   0.07   0.28     0.03   0.20   0.03
    14   1    -0.06  -0.09   0.02     0.20  -0.18  -0.04     0.00  -0.10  -0.12
    15   1    -0.21  -0.15  -0.09    -0.07  -0.18  -0.13    -0.04  -0.05  -0.03
    16   1    -0.07  -0.02  -0.11    -0.14   0.08  -0.08    -0.15  -0.05  -0.01
    17   1     0.21   0.25   0.25    -0.14  -0.02  -0.14    -0.21   0.00   0.15
    18   1     0.08   0.20   0.04    -0.10   0.02  -0.21    -0.19   0.08  -0.21
    19   1     0.01   0.33  -0.22    -0.06  -0.05  -0.02    -0.11  -0.02   0.27
    20   1     0.06   0.06   0.11    -0.19   0.27   0.11    -0.19  -0.14   0.04
    21   1     0.07  -0.14   0.19    -0.07   0.10   0.11    -0.15   0.12  -0.09
    22   1     0.04  -0.06   0.12    -0.00  -0.08   0.25    -0.05  -0.27   0.11
    23   1     0.00   0.28   0.15     0.03   0.06   0.18    -0.05   0.31   0.10
    24   1     0.04  -0.13  -0.12    -0.08  -0.13   0.00     0.12  -0.15  -0.16
    25   1    -0.01   0.02  -0.09    -0.20   0.04  -0.16     0.06  -0.02  -0.05
    26   1     0.05  -0.04   0.01    -0.15  -0.00  -0.09     0.16  -0.14   0.17
    27   1     0.03  -0.05  -0.04    -0.12  -0.14   0.09     0.08  -0.03  -0.13
                     16                     17                     18
                      A                      A                      A
 Frequencies --    527.9901               575.3754               585.9863
 Red. masses --      2.7784                 3.2269                 2.8023
 Frc consts  --      0.4563                 0.6294                 0.5669
 IR Inten    --     10.2516                10.1770                 3.5327
 RamAct Fr= 1--      4.1822                 1.3157                 3.3072
  Dep-P Fr= 1--      0.2867                 0.6873                 0.0624
  Dep-U Fr= 1--      0.4457                 0.8147                 0.1174
 Alpha2 Fr= 1--      0.0446                 0.0014                 0.0634
 Beta2  Fr= 1--      0.3106                 0.1787                 0.0647
 AlphaG Fr= 1--      0.0006                -0.0204                -0.2142
 Gamma2 Fr= 1--      0.5958                -0.9447                 0.5161
 Delta2 Fr= 1--     -0.0275                 0.0748                 0.0381
 Raman1 Fr= 1--      16.729                  5.263                 13.229
 ROA1   Fr= 1--      56.318                -88.302                 50.764
 CID1   Fr= 1--       3.366                -16.778                  3.837
 Raman2 Fr= 1--       3.728                  2.144                  0.777
 ROA2   Fr= 1--      14.520                -23.272                 12.082
 CID2   Fr= 1--       3.895                -10.856                 15.558
 Raman3 Fr= 1--       7.456                  4.288                  1.553
 ROA3   Fr= 1--      56.318                -88.302                 50.764
 CID3   Fr= 1--       7.554                -20.594                 32.685
 RC180  Fr= 1--      -0.109                  0.629                 -0.765
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.04     0.01  -0.01   0.05     0.01  -0.01   0.05
     2   6    -0.00   0.05  -0.02     0.01   0.02   0.03    -0.09   0.06   0.04
     3   6     0.03  -0.06   0.13    -0.04   0.04  -0.11     0.00  -0.05   0.08
     4   6     0.05  -0.01   0.03    -0.12  -0.13   0.02     0.09  -0.05  -0.09
     5   6    -0.10   0.07  -0.14    -0.11  -0.11   0.04     0.07  -0.02  -0.08
     6   6    -0.15  -0.04  -0.06    -0.04   0.20   0.04    -0.02   0.17   0.15
     7   8     0.01  -0.09   0.17     0.16  -0.08   0.07    -0.06  -0.03  -0.10
     8   6    -0.03   0.08  -0.01     0.00   0.01  -0.01    -0.04   0.14  -0.03
     9   6     0.03  -0.01  -0.00     0.04  -0.01  -0.00    -0.01  -0.06  -0.03
    10   6     0.02  -0.04  -0.01     0.05   0.04  -0.00     0.02  -0.04  -0.01
    11   6     0.06   0.05  -0.06     0.00   0.10  -0.13    -0.01  -0.03   0.09
    12   1    -0.01  -0.07  -0.00     0.07   0.01  -0.02     0.00  -0.11  -0.05
    13   1     0.06   0.01   0.04     0.01  -0.05  -0.05    -0.01  -0.10  -0.06
    14   1     0.07  -0.11   0.11     0.00   0.11  -0.07    -0.05  -0.06   0.07
    15   1    -0.06  -0.24  -0.17     0.18   0.22   0.12    -0.03  -0.18  -0.12
    16   1     0.04   0.19  -0.14     0.06  -0.15   0.10     0.05   0.12  -0.10
    17   1     0.01  -0.03  -0.13    -0.01  -0.01   0.05     0.06  -0.04  -0.10
    18   1     0.03  -0.04   0.03    -0.01  -0.02   0.02     0.10  -0.06   0.23
    19   1     0.03  -0.05  -0.03    -0.01  -0.01   0.11     0.07  -0.06  -0.02
    20   1    -0.07   0.11   0.00     0.03  -0.04  -0.02     0.01   0.11  -0.04
    21   1    -0.04   0.10  -0.01     0.00   0.02  -0.03     0.01   0.09  -0.04
    22   1    -0.02   0.04   0.04    -0.01   0.05  -0.05    -0.03   0.25  -0.08
    23   1     0.27  -0.02  -0.00    -0.31  -0.05   0.09     0.18   0.05  -0.04
    24   1    -0.19   0.11  -0.10    -0.24  -0.30  -0.06     0.20  -0.14  -0.16
    25   1     0.29  -0.03   0.16    -0.04   0.14  -0.44    -0.11   0.03  -0.33
    26   1     0.24   0.04   0.07     0.14  -0.17   0.10     0.11  -0.34   0.32
    27   1     0.12   0.33  -0.41     0.05  -0.04  -0.30     0.03  -0.28  -0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    618.6316               732.5006               796.9197
 Red. masses --      2.8782                 1.9296                 2.3502
 Frc consts  --      0.6490                 0.6100                 0.8794
 IR Inten    --      0.7427                 0.5621                 1.6301
 RamAct Fr= 1--      3.8041                10.2817                22.1042
  Dep-P Fr= 1--      0.1320                 0.0356                 0.5566
  Dep-U Fr= 1--      0.2332                 0.0687                 0.7152
 Alpha2 Fr= 1--      0.0615                 0.2102                 0.0814
 Beta2  Fr= 1--      0.1478                 0.1177                 2.6347
 AlphaG Fr= 1--      0.1677                 0.3816                 0.1077
 Gamma2 Fr= 1--     -0.9757                 0.8745                 5.5360
 Delta2 Fr= 1--     -0.3683                -0.4510                -0.8648
 Raman1 Fr= 1--      15.216                 41.127                 88.417
 ROA1   Fr= 1--    -105.454                 69.521                503.787
 CID1   Fr= 1--      -6.930                  1.690                  5.698
 Raman2 Fr= 1--       1.774                  1.413                 31.617
 ROA2   Fr= 1--     -20.470                 24.596                139.783
 CID2   Fr= 1--     -11.540                 17.409                  4.421
 Raman3 Fr= 1--       3.548                  2.826                 63.234
 ROA3   Fr= 1--    -105.454                 69.521                503.787
 CID3   Fr= 1--     -29.724                 24.603                  7.967
 RC180  Fr= 1--      -0.534                 -0.863                  0.430
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.13     0.02  -0.01   0.13     0.02   0.00  -0.00
     2   6    -0.02  -0.08  -0.05     0.00   0.01   0.00     0.11   0.02  -0.02
     3   6     0.09   0.07   0.06     0.09  -0.06  -0.10    -0.10  -0.02   0.11
     4   6     0.11  -0.05   0.01     0.07  -0.01   0.04    -0.10   0.00  -0.01
     5   6     0.03  -0.01  -0.08     0.02   0.05   0.02    -0.12   0.00  -0.09
     6   6    -0.08   0.08   0.06    -0.02  -0.04  -0.02     0.05   0.05  -0.04
     7   8    -0.04  -0.05  -0.00    -0.03  -0.00   0.02     0.07   0.04  -0.04
     8   6     0.04  -0.17   0.04    -0.02   0.09  -0.02     0.04   0.01  -0.01
     9   6    -0.12   0.04   0.01    -0.08  -0.06  -0.07    -0.02   0.01  -0.07
    10   6    -0.01   0.18   0.05    -0.04   0.03  -0.06     0.04   0.00  -0.03
    11   6    -0.01   0.01   0.01    -0.01  -0.00  -0.03     0.04  -0.08   0.14
    12   1    -0.31   0.01   0.13    -0.38  -0.05   0.13    -0.35  -0.01   0.14
    13   1     0.09  -0.04   0.15     0.21  -0.28   0.07     0.30  -0.12   0.15
    14   1     0.17   0.15   0.09     0.18  -0.02  -0.07    -0.16  -0.04   0.10
    15   1    -0.08   0.33   0.21    -0.16   0.33   0.27    -0.19   0.11   0.15
    16   1     0.12  -0.02   0.15     0.11  -0.38   0.16     0.38  -0.11   0.02
    17   1     0.02   0.05  -0.01     0.02  -0.01   0.14    -0.02  -0.01   0.01
    18   1    -0.01   0.07  -0.14     0.02  -0.01   0.14    -0.04  -0.00  -0.10
    19   1    -0.02   0.07  -0.26     0.02  -0.01   0.15    -0.01  -0.01   0.11
    20   1     0.03  -0.08   0.06    -0.03   0.08  -0.02    -0.10  -0.02   0.02
    21   1     0.07  -0.24   0.10    -0.04   0.12  -0.04    -0.12   0.21  -0.04
    22   1     0.06  -0.20   0.10    -0.03   0.08  -0.03    -0.02  -0.24   0.07
    23   1     0.22  -0.06  -0.01     0.06   0.15   0.13    -0.01  -0.06  -0.05
    24   1     0.01  -0.02  -0.08     0.03  -0.09  -0.06    -0.25   0.06  -0.05
    25   1     0.02   0.02  -0.15     0.04  -0.03   0.12     0.01  -0.07   0.09
    26   1     0.12  -0.17   0.19    -0.01   0.09  -0.07     0.03  -0.11   0.16
    27   1     0.03  -0.03  -0.17    -0.01   0.10  -0.05     0.03  -0.15   0.21
                     22                     23                     24
                      A                      A                      A
 Frequencies --    827.1019               863.7208               881.4980
 Red. masses --      2.4044                 1.9938                 1.9120
 Frc consts  --      0.9691                 0.8763                 0.8753
 IR Inten    --      2.3576                 0.2826                 0.3329
 RamAct Fr= 1--     14.4203                 4.3058                 5.8480
  Dep-P Fr= 1--      0.1378                 0.3362                 0.7487
  Dep-U Fr= 1--      0.2422                 0.5033                 0.8563
 Alpha2 Fr= 1--      0.2299                 0.0395                 0.0001
 Beta2  Fr= 1--      0.5822                 0.3612                 0.8346
 AlphaG Fr= 1--      0.3889                -0.3491                 0.0222
 Gamma2 Fr= 1--     -1.3236                 0.6485                -1.0807
 Delta2 Fr= 1--      1.3029                -1.0791                 1.0860
 Raman1 Fr= 1--      57.681                 17.223                 23.392
 ROA1   Fr= 1--     -85.376                 27.727                -68.995
 CID1   Fr= 1--      -1.480                  1.610                 -2.950
 Raman2 Fr= 1--       6.986                  4.334                 10.015
 ROA2   Fr= 1--     -42.190                 24.197                -34.625
 CID2   Fr= 1--      -6.039                  5.583                 -3.457
 Raman3 Fr= 1--      13.973                  8.668                 20.030
 ROA3   Fr= 1--     -85.376                 27.727                -68.995
 CID3   Fr= 1--      -6.110                  3.199                 -3.445
 RC180  Fr= 1--      -0.516                  0.007                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00  -0.00     0.04  -0.01   0.04    -0.04   0.00  -0.02
     2   6    -0.09  -0.01   0.02     0.08  -0.02  -0.04    -0.09  -0.01   0.02
     3   6     0.07  -0.02  -0.10     0.03   0.11  -0.03     0.00   0.00  -0.01
     4   6     0.02  -0.08   0.05     0.03   0.08   0.11    -0.00   0.06   0.05
     5   6    -0.12   0.09  -0.07     0.02  -0.08  -0.09     0.01  -0.06  -0.04
     6   6     0.00   0.04  -0.09    -0.02   0.02  -0.02    -0.00   0.00  -0.00
     7   8     0.06   0.04  -0.04     0.01   0.00  -0.01     0.00  -0.00  -0.00
     8   6    -0.04  -0.01   0.01     0.01   0.04  -0.02    -0.04  -0.02   0.01
     9   6     0.04   0.00   0.07    -0.05  -0.10   0.01     0.15   0.11   0.01
    10   6    -0.00   0.05   0.00    -0.09  -0.05   0.00    -0.02  -0.11  -0.09
    11   6     0.02  -0.11   0.15    -0.02   0.01   0.05    -0.01   0.02   0.02
    12   1     0.28   0.05  -0.08     0.16  -0.09  -0.13    -0.09   0.21   0.21
    13   1    -0.19   0.05  -0.12    -0.25  -0.03  -0.13     0.33   0.08   0.16
    14   1     0.23   0.04  -0.06     0.17   0.15  -0.01     0.01   0.11   0.04
    15   1     0.22   0.09  -0.05     0.10   0.01  -0.02    -0.16   0.13   0.20
    16   1    -0.26  -0.00   0.04    -0.30  -0.11   0.04    -0.04  -0.45   0.09
    17   1     0.01  -0.00  -0.02    -0.05  -0.00   0.14     0.06   0.01  -0.08
    18   1     0.03  -0.00   0.08    -0.08   0.01  -0.17     0.08  -0.00   0.18
    19   1     0.01   0.00  -0.08    -0.04   0.01   0.21     0.03  -0.01  -0.20
    20   1     0.09   0.02  -0.01    -0.04   0.09  -0.01     0.09  -0.00  -0.01
    21   1     0.11  -0.19   0.04    -0.05   0.11  -0.01     0.11  -0.22   0.04
    22   1     0.01   0.21  -0.05    -0.00  -0.06   0.02     0.01   0.24  -0.06
    23   1     0.05   0.15   0.18     0.12  -0.33  -0.15     0.06  -0.19  -0.11
    24   1    -0.32  -0.19  -0.22    -0.18   0.40   0.22    -0.06   0.23   0.14
    25   1     0.11  -0.16   0.32     0.03   0.01  -0.11    -0.00   0.02  -0.09
    26   1     0.07  -0.04   0.16     0.08  -0.16   0.21     0.03  -0.08   0.09
    27   1     0.02  -0.01   0.13     0.02  -0.06  -0.08     0.01  -0.04  -0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --    913.0893               952.1969               963.7852
 Red. masses --      1.9413                 1.9210                 1.5680
 Frc consts  --      0.9536                 1.0262                 0.8581
 IR Inten    --      1.1701                 1.7604                 1.2755
 RamAct Fr= 1--     25.0099                 3.8412                 2.6987
  Dep-P Fr= 1--      0.3817                 0.6255                 0.7500
  Dep-U Fr= 1--      0.5526                 0.7696                 0.8571
 Alpha2 Fr= 1--      0.1975                 0.0087                 0.0000
 Beta2  Fr= 1--      2.3032                 0.4927                 0.3855
 AlphaG Fr= 1--     -0.4720                 0.0014                -0.0000
 Gamma2 Fr= 1--     -0.7795                -1.1051                -1.4372
 Delta2 Fr= 1--     -0.6847                -1.2015                -0.1214
 Raman1 Fr= 1--     100.040                 15.365                 10.795
 ROA1   Fr= 1--     -96.748               -144.543               -141.855
 CID1   Fr= 1--      -0.967                 -9.408                -13.141
 Raman2 Fr= 1--      27.639                  5.912                  4.626
 ROA2   Fr= 1--     -13.231                -16.911                -33.521
 CID2   Fr= 1--      -0.479                 -2.860                 -7.246
 Raman3 Fr= 1--      55.278                 11.825                  9.253
 ROA3   Fr= 1--     -96.748               -144.543               -141.855
 CID3   Fr= 1--      -1.750                -12.224                -15.331
 RC180  Fr= 1--       0.105                  0.539                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03   0.14    -0.01   0.07   0.05    -0.01   0.06   0.06
     2   6    -0.06  -0.01  -0.09    -0.01   0.08  -0.03    -0.00   0.02  -0.06
     3   6     0.05  -0.05  -0.07     0.02   0.00   0.00    -0.03   0.06   0.03
     4   6    -0.03   0.05   0.02    -0.03   0.01  -0.01     0.03  -0.04  -0.00
     5   6    -0.01  -0.05  -0.03    -0.01  -0.01  -0.00     0.01   0.03   0.02
     6   6    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
     7   8     0.01   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.01  -0.04  -0.02     0.01  -0.10  -0.02     0.02  -0.06  -0.07
     9   6    -0.06   0.10  -0.03     0.13  -0.07  -0.08    -0.07   0.03   0.03
    10   6     0.10   0.03   0.06    -0.12   0.09   0.07     0.04  -0.10  -0.06
    11   6    -0.00   0.01   0.02     0.01   0.00   0.00    -0.01  -0.01  -0.01
    12   1    -0.20  -0.18  -0.04     0.03  -0.23  -0.07    -0.00   0.03  -0.01
    13   1     0.07   0.30   0.21     0.27  -0.29  -0.09    -0.17   0.27   0.08
    14   1     0.08  -0.33  -0.21     0.01  -0.11  -0.06     0.01   0.24   0.12
    15   1     0.04  -0.22  -0.15    -0.28  -0.04   0.01     0.24   0.05   0.01
    16   1     0.16   0.34  -0.11    -0.28   0.17   0.04     0.06  -0.23   0.01
    17   1     0.09   0.02   0.24    -0.03  -0.06  -0.38    -0.02  -0.05  -0.30
    18   1     0.07   0.03   0.22     0.04  -0.15   0.25     0.04  -0.14   0.26
    19   1     0.02   0.03  -0.04     0.09  -0.15   0.23     0.09  -0.13   0.21
    20   1    -0.01   0.14  -0.01    -0.02   0.16   0.01    -0.11   0.37  -0.01
    21   1     0.05  -0.16   0.08     0.05  -0.21   0.15     0.00  -0.13   0.19
    22   1     0.04  -0.02   0.05     0.08  -0.18   0.15     0.10  -0.29   0.22
    23   1    -0.06  -0.15  -0.10    -0.05  -0.01  -0.03     0.05   0.03   0.03
    24   1    -0.10   0.21   0.14    -0.01   0.04   0.02     0.05  -0.17  -0.11
    25   1     0.00   0.01  -0.06    -0.02   0.01  -0.02     0.02  -0.02   0.05
    26   1     0.02  -0.06   0.07    -0.01  -0.00  -0.01     0.01   0.03  -0.01
    27   1     0.01  -0.04  -0.02     0.00  -0.02   0.03    -0.01   0.04  -0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --    971.5727               998.4452              1009.4657
 Red. masses --      1.6844                 1.6965                 1.4519
 Frc consts  --      0.9368                 0.9964                 0.8717
 IR Inten    --      0.9153                12.9928                 7.1808
 RamAct Fr= 1--     10.9310                52.7126                 8.6346
  Dep-P Fr= 1--      0.7494                 0.2806                 0.4159
  Dep-U Fr= 1--      0.8568                 0.4382                 0.5875
 Alpha2 Fr= 1--      0.0001                 0.5725                 0.0604
 Beta2  Fr= 1--      1.5609                 3.8500                 0.8455
 AlphaG Fr= 1--     -0.0120                -0.0891                 0.2107
 Gamma2 Fr= 1--      0.0707                 3.3533                -0.4367
 Delta2 Fr= 1--     -0.9728                 1.0199                -0.9305
 Raman1 Fr= 1--      43.724                210.850                 34.538
 ROA1   Fr= 1--     -24.339                354.558                -71.701
 CID1   Fr= 1--      -0.557                  1.682                 -2.076
 Raman2 Fr= 1--      18.731                 46.200                 10.146
 ROA2   Fr= 1--       9.480                 72.321                 -3.037
 CID2   Fr= 1--       0.506                  1.565                 -0.299
 Raman3 Fr= 1--      37.462                 92.399                 20.291
 ROA3   Fr= 1--     -24.339                354.558                -71.701
 CID3   Fr= 1--      -0.650                  3.837                 -3.534
 RC180  Fr= 1--       0.714                 -0.124                  0.175
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.08   0.05     0.04  -0.05   0.03    -0.08   0.01  -0.01
     2   6     0.01  -0.04  -0.06     0.01  -0.09  -0.05    -0.01   0.02   0.03
     3   6     0.00   0.13   0.04    -0.01  -0.01   0.06     0.03  -0.06  -0.03
     4   6     0.01  -0.05  -0.03    -0.02  -0.01  -0.01    -0.01   0.02   0.02
     5   6    -0.01   0.04   0.03    -0.06   0.03  -0.04    -0.05   0.00  -0.06
     6   6    -0.01   0.01  -0.01     0.02  -0.02   0.04     0.01  -0.02   0.03
     7   8     0.01   0.00  -0.00    -0.03  -0.02   0.03    -0.03  -0.02   0.03
     8   6     0.02   0.03  -0.01    -0.06   0.04  -0.09     0.08   0.01   0.02
     9   6     0.08   0.01  -0.07     0.05  -0.00   0.04    -0.02  -0.01   0.01
    10   6    -0.07  -0.05   0.04    -0.02   0.06  -0.01     0.01   0.02  -0.02
    11   6    -0.01  -0.02  -0.00     0.09   0.03  -0.03     0.09   0.03  -0.01
    12   1    -0.09  -0.37  -0.10     0.13   0.18   0.06     0.03  -0.14  -0.08
    13   1     0.23   0.24   0.21    -0.02  -0.04  -0.06    -0.06   0.05   0.01
    14   1    -0.02   0.23   0.09     0.05   0.01   0.07     0.10   0.10   0.05
    15   1    -0.03  -0.09  -0.02    -0.05   0.11   0.05     0.21   0.09  -0.02
    16   1    -0.28   0.01   0.02    -0.00   0.00   0.02    -0.17  -0.08   0.04
    17   1     0.14   0.06   0.39    -0.02   0.01   0.30     0.12   0.02  -0.13
    18   1     0.07   0.14   0.08    -0.06   0.06  -0.20     0.12  -0.01   0.33
    19   1    -0.03   0.12  -0.33    -0.06   0.06   0.06     0.05  -0.01  -0.30
    20   1    -0.05  -0.02  -0.00    -0.01   0.47  -0.06    -0.11  -0.18   0.04
    21   1    -0.05   0.13  -0.05     0.09  -0.24   0.17    -0.15   0.32  -0.10
    22   1    -0.02  -0.08  -0.01     0.07   0.10   0.10    -0.04  -0.26   0.01
    23   1    -0.05   0.03   0.02     0.10   0.03  -0.01     0.09   0.00  -0.01
    24   1     0.02  -0.26  -0.15     0.02  -0.01  -0.07    -0.05   0.12   0.01
    25   1     0.03  -0.04   0.08    -0.20   0.12  -0.18    -0.18   0.12  -0.19
    26   1     0.01   0.03  -0.01    -0.18   0.06  -0.24    -0.16   0.03  -0.19
    27   1    -0.01   0.05  -0.02     0.02  -0.21   0.35     0.02  -0.21   0.32
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1024.1017              1027.2323              1050.5931
 Red. masses --      1.1525                 1.6953                 1.8800
 Frc consts  --      0.7122                 1.0540                 1.2225
 IR Inten    --     33.0745                 4.5664                 0.7627
 RamAct Fr= 1--      2.4766                11.9841                 1.3617
  Dep-P Fr= 1--      0.6872                 0.5527                 0.6697
  Dep-U Fr= 1--      0.8146                 0.7119                 0.8022
 Alpha2 Fr= 1--      0.0027                 0.0451                 0.0019
 Beta2  Fr= 1--      0.3363                 1.4219                 0.1821
 AlphaG Fr= 1--     -0.1900                -0.3754                -0.0031
 Gamma2 Fr= 1--      0.0117                -2.7112                -0.0920
 Delta2 Fr= 1--      0.8277                -0.9261                 0.0073
 Raman1 Fr= 1--       9.906                 47.936                  5.447
 ROA1   Fr= 1--      27.610               -289.914                 -8.600
 CID1   Fr= 1--       2.787                 -6.048                 -1.579
 Raman2 Fr= 1--       4.035                 17.063                  2.185
 ROA2   Fr= 1--      -6.341                -57.661                 -2.267
 CID2   Fr= 1--      -1.571                 -3.379                 -1.037
 Raman3 Fr= 1--       8.070                 34.126                  4.370
 ROA3   Fr= 1--      27.610               -289.914                 -8.600
 CID3   Fr= 1--       3.421                 -8.495                 -1.968
 RC180  Fr= 1--       0.629                  0.424                  0.604
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00     0.06   0.04   0.00     0.00   0.00  -0.00
     2   6     0.00  -0.02  -0.00    -0.00   0.07  -0.01    -0.00  -0.00   0.00
     3   6    -0.01   0.01   0.02     0.02   0.10  -0.01     0.00  -0.01  -0.00
     4   6     0.01  -0.07  -0.04     0.03  -0.06  -0.00    -0.01   0.04   0.03
     5   6     0.02  -0.05  -0.02    -0.04   0.02  -0.04     0.01  -0.06  -0.04
     6   6    -0.01   0.03   0.01    -0.00   0.00   0.02    -0.04   0.17   0.11
     7   8     0.01  -0.00  -0.01    -0.02  -0.02   0.02     0.01  -0.03  -0.02
     8   6     0.01   0.01  -0.02    -0.04  -0.05   0.09     0.00   0.00   0.00
     9   6     0.01  -0.00   0.01    -0.05   0.01  -0.06    -0.00  -0.00   0.00
    10   6    -0.01   0.01  -0.01    -0.00  -0.09   0.01     0.00   0.00   0.00
    11   6    -0.01  -0.02  -0.01     0.07   0.01  -0.01     0.03  -0.13  -0.08
    12   1     0.03   0.02   0.01    -0.17  -0.18  -0.05     0.00   0.00   0.00
    13   1    -0.00   0.01  -0.00     0.05   0.17   0.13    -0.00  -0.01  -0.01
    14   1    -0.04   0.00   0.01     0.15  -0.02  -0.07     0.00   0.01   0.00
    15   1     0.03   0.04   0.01    -0.01  -0.14  -0.03    -0.01  -0.00  -0.00
    16   1     0.00  -0.01   0.00     0.03  -0.03  -0.03    -0.01   0.00   0.00
    17   1     0.03   0.01   0.03    -0.13  -0.03  -0.09     0.00   0.00   0.00
    18   1     0.03   0.01   0.06    -0.09  -0.05  -0.18    -0.00   0.00  -0.01
    19   1     0.00   0.01  -0.08    -0.01  -0.03   0.33     0.00  -0.00   0.00
    20   1    -0.04   0.09  -0.01     0.19  -0.34   0.02    -0.00  -0.01   0.00
    21   1    -0.02   0.02   0.03     0.12  -0.18  -0.09    -0.00   0.01  -0.00
    22   1     0.02  -0.07   0.04    -0.04   0.31  -0.17    -0.00   0.00  -0.00
    23   1    -0.11   0.59   0.37     0.02   0.18   0.14     0.05  -0.25  -0.16
    24   1    -0.10   0.55   0.35    -0.10   0.10   0.01    -0.00   0.01   0.01
    25   1     0.03  -0.04   0.09    -0.14   0.07  -0.08     0.03  -0.18   0.57
    26   1     0.02   0.04  -0.01    -0.14   0.06  -0.18    -0.08   0.42  -0.42
    27   1    -0.01   0.07  -0.03     0.01  -0.14   0.28    -0.06   0.27   0.17
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1098.3671              1159.2260              1183.7429
 Red. masses --      1.8148                 2.0627                 1.8543
 Frc consts  --      1.2900                 1.6331                 1.5309
 IR Inten    --     10.9360                 6.2171                15.5323
 RamAct Fr= 1--     72.9476                82.1941                42.2769
  Dep-P Fr= 1--      0.2482                 0.3234                 0.3595
  Dep-U Fr= 1--      0.3976                 0.4888                 0.5289
 Alpha2 Fr= 1--      0.8690                 0.7849                 0.3598
 Beta2  Fr= 1--      4.8345                 6.6960                 3.7268
 AlphaG Fr= 1--      0.5654                -0.7349                -0.3813
 Gamma2 Fr= 1--      2.3525                -9.0492                -1.5511
 Delta2 Fr= 1--      4.4609                 0.0592                 0.7935
 Raman1 Fr= 1--     291.790                328.777                169.108
 ROA1   Fr= 1--     368.589               -866.829               -123.512
 CID1   Fr= 1--       1.263                 -2.637                 -0.730
 Raman2 Fr= 1--      58.014                 80.351                 44.721
 ROA2   Fr= 1--      20.772               -217.654                -43.574
 CID2   Fr= 1--       0.358                 -2.709                 -0.974
 Raman3 Fr= 1--     116.028                160.703                 89.443
 ROA3   Fr= 1--     368.589               -866.829               -123.512
 CID3   Fr= 1--       3.177                 -5.394                 -1.381
 RC180  Fr= 1--      -0.205                 -0.022                  0.058
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01  -0.02     0.01   0.04  -0.03    -0.10   0.01   0.03
     2   6     0.02  -0.04   0.04     0.06  -0.06   0.06     0.18   0.00  -0.07
     3   6     0.16   0.13  -0.03     0.17  -0.11   0.06    -0.03   0.01   0.02
     4   6    -0.03  -0.00  -0.05    -0.12   0.06  -0.09    -0.01   0.00   0.00
     5   6    -0.03  -0.00   0.01    -0.03  -0.03   0.02    -0.01   0.00   0.00
     6   6    -0.02   0.01  -0.02     0.01  -0.01  -0.00     0.01  -0.00   0.01
     7   8     0.00  -0.01   0.01     0.02   0.01  -0.01     0.00   0.00  -0.00
     8   6     0.01   0.03  -0.03    -0.06   0.03  -0.01    -0.07  -0.00   0.04
     9   6    -0.04  -0.02   0.03    -0.05  -0.00  -0.05     0.01  -0.10   0.03
    10   6    -0.01  -0.09   0.05     0.01   0.02   0.02    -0.09   0.04  -0.03
    11   6     0.03  -0.00   0.01    -0.02  -0.00   0.00    -0.01  -0.00  -0.00
    12   1    -0.05   0.41   0.20    -0.09  -0.24  -0.11     0.16   0.03  -0.03
    13   1    -0.08  -0.23  -0.13     0.00   0.23   0.14    -0.16   0.31   0.10
    14   1     0.10  -0.01  -0.10     0.12   0.55   0.40     0.04  -0.16  -0.07
    15   1    -0.44  -0.31   0.01     0.10   0.01  -0.03     0.03   0.16   0.03
    16   1     0.25   0.11  -0.07    -0.19  -0.02   0.05     0.48   0.06  -0.05
    17   1     0.06   0.01  -0.10    -0.04  -0.01  -0.15     0.19   0.03  -0.11
    18   1     0.06  -0.02   0.16    -0.02  -0.06  -0.03     0.12   0.01   0.37
    19   1     0.04  -0.03  -0.17     0.03  -0.05   0.09     0.09  -0.08  -0.24
    20   1    -0.06   0.12  -0.01     0.06   0.10  -0.02     0.19  -0.07  -0.01
    21   1    -0.04   0.08   0.02     0.06  -0.12   0.02     0.11  -0.17  -0.07
    22   1     0.02  -0.08   0.05     0.01   0.24  -0.02    -0.01   0.31  -0.08
    23   1    -0.29  -0.02  -0.04    -0.24   0.04  -0.09     0.05  -0.02  -0.02
    24   1    -0.15  -0.07  -0.02     0.09   0.07   0.07     0.04  -0.01  -0.01
    25   1    -0.04   0.02  -0.01     0.03  -0.02   0.02     0.01  -0.01   0.00
    26   1    -0.04  -0.00  -0.04     0.03  -0.02   0.04     0.01   0.01   0.01
    27   1     0.01  -0.05   0.10    -0.00   0.04  -0.07    -0.00   0.02  -0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1200.0085              1224.8828              1246.2475
 Red. masses --      1.7103                 1.4930                 1.6681
 Frc consts  --      1.4511                 1.3197                 1.5265
 IR Inten    --      0.8222                 9.6472                16.3157
 RamAct Fr= 1--     46.9880                15.5302                42.7123
  Dep-P Fr= 1--      0.3366                 0.4556                 0.3293
  Dep-U Fr= 1--      0.5036                 0.6260                 0.4954
 Alpha2 Fr= 1--      0.4306                 0.0931                 0.4005
 Beta2  Fr= 1--      3.9442                 1.6202                 3.5270
 AlphaG Fr= 1--      0.2530                -0.1911                -0.2481
 Gamma2 Fr= 1--      3.1783                -5.1004                -3.1699
 Delta2 Fr= 1--     -1.6090                -3.2543                -3.6635
 Raman1 Fr= 1--     187.952                 62.121                170.849
 ROA1   Fr= 1--     253.628               -593.779               -421.544
 CID1   Fr= 1--       1.349                 -9.558                 -2.467
 Raman2 Fr= 1--      47.330                 19.443                 42.324
 ROA2   Fr= 1--      89.151                -96.375                -46.769
 CID2   Fr= 1--       1.884                 -4.957                 -1.105
 Raman3 Fr= 1--      94.660                 38.886                 84.647
 ROA3   Fr= 1--     253.628               -593.779               -421.544
 CID3   Fr= 1--       2.679                -15.270                 -4.980
 RC180  Fr= 1--       0.007                  0.252                 -0.009
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.02   0.02     0.04   0.03  -0.01     0.01  -0.07  -0.02
     2   6    -0.10   0.05  -0.07    -0.11  -0.07   0.01     0.01   0.16   0.08
     3   6     0.06   0.02   0.09     0.02  -0.02  -0.03     0.03  -0.03  -0.03
     4   6    -0.11  -0.00  -0.06     0.04   0.01   0.01     0.01   0.01  -0.00
     5   6    -0.04  -0.00   0.00     0.03   0.00   0.00     0.02  -0.00   0.01
     6   6     0.03  -0.01   0.03    -0.03   0.01  -0.03    -0.03   0.01  -0.03
     7   8     0.02   0.02  -0.02    -0.01  -0.01   0.01    -0.00  -0.00   0.01
     8   6     0.05  -0.01   0.03     0.05   0.03   0.00    -0.01  -0.05  -0.04
     9   6     0.03  -0.02   0.06     0.06  -0.07   0.01    -0.01   0.05   0.07
    10   6    -0.02  -0.00  -0.06    -0.04   0.05  -0.02    -0.07  -0.04  -0.04
    11   6    -0.03  -0.00  -0.01     0.02   0.00   0.01     0.02   0.00   0.01
    12   1     0.14   0.00  -0.01     0.15  -0.08  -0.04     0.11  -0.54  -0.24
    13   1    -0.12   0.08  -0.01    -0.10   0.57   0.24    -0.07  -0.18  -0.13
    14   1     0.69  -0.26  -0.05    -0.25   0.12   0.03    -0.01   0.19   0.08
    15   1    -0.12   0.11   0.08    -0.33   0.05   0.08    -0.09   0.02   0.03
    16   1     0.12  -0.14   0.01     0.37   0.06  -0.04     0.51  -0.03  -0.07
    17   1    -0.04  -0.00   0.10    -0.12  -0.02  -0.06     0.03   0.01   0.19
    18   1    -0.02   0.02  -0.07    -0.05  -0.08  -0.08     0.01   0.14  -0.13
    19   1    -0.03   0.03   0.07    -0.00  -0.02   0.20    -0.09   0.12  -0.14
    20   1    -0.05  -0.17   0.03    -0.11  -0.04   0.02    -0.01   0.09  -0.02
    21   1    -0.03   0.11  -0.04    -0.08   0.19  -0.03     0.03  -0.16   0.14
    22   1    -0.04  -0.16  -0.02    -0.03  -0.10  -0.04     0.07  -0.08   0.12
    23   1     0.06   0.05  -0.06    -0.13  -0.03   0.01    -0.09  -0.02  -0.01
    24   1     0.39   0.06  -0.01    -0.17  -0.02   0.01    -0.04   0.00   0.02
    25   1     0.05  -0.02   0.02    -0.03   0.01  -0.00    -0.03   0.01   0.01
    26   1     0.04   0.01   0.03    -0.02  -0.02  -0.01    -0.02  -0.03  -0.00
    27   1    -0.01   0.07  -0.11     0.01  -0.04   0.07     0.01  -0.04   0.07
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1258.3447              1275.9985              1279.1478
 Red. masses --      1.4693                 2.5264                 1.6112
 Frc consts  --      1.3707                 2.4235                 1.5532
 IR Inten    --      7.3910               127.9468                 6.1655
 RamAct Fr= 1--     51.7047                33.9140                 6.7313
  Dep-P Fr= 1--      0.3005                 0.2805                 0.6239
  Dep-U Fr= 1--      0.4622                 0.4381                 0.7684
 Alpha2 Fr= 1--      0.5295                 0.3684                 0.0155
 Beta2  Fr= 1--      3.9826                 2.4765                 0.8621
 AlphaG Fr= 1--      0.0244                 0.1215                 0.0732
 Gamma2 Fr= 1--      0.8982                 1.5645                 4.0793
 Delta2 Fr= 1--      1.5502                 0.3413                 2.7089
 Raman1 Fr= 1--     206.819                135.656                 26.925
 ROA1   Fr= 1--     135.833                161.119                478.294
 CID1   Fr= 1--       0.657                  1.188                 17.764
 Raman2 Fr= 1--      47.791                 29.718                 10.345
 ROA2   Fr= 1--       9.155                 34.818                 76.231
 CID2   Fr= 1--       0.192                  1.172                  7.369
 Raman3 Fr= 1--      95.583                 59.435                 20.689
 ROA3   Fr= 1--     135.833                161.119                478.294
 CID3   Fr= 1--       1.421                  2.711                 23.118
 RC180  Fr= 1--      -0.076                 -0.124                  0.537
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.01     0.01   0.01   0.01    -0.01   0.04   0.03
     2   6    -0.03  -0.02   0.06    -0.02  -0.03  -0.01     0.01  -0.10  -0.12
     3   6    -0.01  -0.01  -0.06     0.00  -0.00  -0.06    -0.05  -0.01  -0.05
     4   6    -0.03  -0.02   0.04     0.01  -0.01   0.02    -0.01  -0.03   0.04
     5   6    -0.01  -0.00  -0.00    -0.08   0.04  -0.09    -0.01  -0.00  -0.00
     6   6    -0.02   0.01  -0.02     0.21  -0.09   0.22    -0.04   0.02  -0.04
     7   8     0.01   0.00  -0.00    -0.03   0.01  -0.03     0.02   0.00   0.00
     8   6     0.02   0.00  -0.02     0.01   0.01   0.00    -0.00   0.03   0.04
     9   6     0.04  -0.01  -0.07     0.02   0.04   0.02     0.00   0.09   0.07
    10   6    -0.11  -0.04   0.09    -0.04  -0.02   0.04     0.03  -0.01   0.02
    11   6     0.00   0.00   0.00    -0.08   0.00  -0.03     0.01   0.00   0.00
    12   1    -0.13   0.27   0.16     0.02  -0.09  -0.04     0.12  -0.22  -0.13
    13   1     0.16   0.03   0.06     0.04  -0.14  -0.06     0.03  -0.34  -0.16
    14   1     0.19   0.18   0.04     0.01   0.30   0.08    -0.02   0.40   0.15
    15   1     0.52  -0.00  -0.12    -0.04  -0.07  -0.01    -0.36  -0.11   0.06
    16   1     0.39   0.24  -0.08     0.29   0.13  -0.05     0.12   0.11  -0.04
    17   1    -0.04  -0.01  -0.02    -0.03  -0.01  -0.01    -0.00  -0.00  -0.09
    18   1    -0.02  -0.01  -0.06    -0.02  -0.02  -0.01    -0.00  -0.09   0.11
    19   1    -0.01   0.01   0.02     0.01  -0.01   0.04     0.07  -0.09   0.08
    20   1    -0.06   0.06  -0.00    -0.04  -0.01   0.01     0.02  -0.11   0.02
    21   1    -0.04   0.06   0.03    -0.02   0.05  -0.01     0.02   0.06  -0.12
    22   1     0.02  -0.05   0.03    -0.02  -0.02  -0.03    -0.08   0.06  -0.12
    23   1     0.24   0.02   0.03     0.13   0.02   0.02     0.17   0.03   0.06
    24   1     0.38   0.08   0.01    -0.50  -0.03  -0.09     0.46   0.10   0.01
    25   1     0.00  -0.00   0.02     0.11  -0.02  -0.18    -0.00  -0.00   0.04
    26   1     0.00  -0.02   0.01     0.06   0.20  -0.05     0.01  -0.04   0.02
    27   1    -0.01  -0.04   0.05    -0.01   0.26  -0.42    -0.01  -0.05   0.08
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1288.2398              1316.1144              1337.5015
 Red. masses --      1.7199                 1.8053                 1.3493
 Frc consts  --      1.6817                 1.8424                 1.4221
 IR Inten    --      8.1760                 7.2041                 0.3968
 RamAct Fr= 1--      3.7311                 1.4950                34.3217
  Dep-P Fr= 1--      0.7335                 0.7465                 0.2667
  Dep-U Fr= 1--      0.8463                 0.8548                 0.4211
 Alpha2 Fr= 1--      0.0011                 0.0001                 0.3880
 Beta2  Fr= 1--      0.5263                 0.2130                 2.4086
 AlphaG Fr= 1--      0.0211                 0.0098                 0.0798
 Gamma2 Fr= 1--     -1.4343                 1.7775                -0.1531
 Delta2 Fr= 1--     -2.4369                 1.3932                 0.3047
 Raman1 Fr= 1--      14.924                  5.980                137.287
 ROA1   Fr= 1--    -215.677                215.223                 -4.950
 CID1   Fr= 1--     -14.451                 35.991                 -0.036
 Raman2 Fr= 1--       6.315                  2.556                 28.903
 ROA2   Fr= 1--     -14.929                 31.515                 -6.112
 CID2   Fr= 1--      -2.364                 12.330                 -0.211
 Raman3 Fr= 1--      12.630                  5.112                 57.807
 ROA3   Fr= 1--    -215.677                215.223                 -4.950
 CID3   Fr= 1--     -17.077                 42.103                 -0.086
 RC180  Fr= 1--       0.693                  0.710                 -0.158
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.02    -0.00   0.05  -0.02    -0.00   0.00   0.01
     2   6    -0.04  -0.08  -0.10     0.03  -0.15   0.16     0.00  -0.02   0.01
     3   6     0.04  -0.01   0.09     0.01   0.08  -0.00    -0.02   0.01  -0.02
     4   6     0.02   0.04  -0.06    -0.01  -0.02   0.03    -0.01   0.05  -0.09
     5   6     0.06  -0.01   0.03    -0.04   0.01  -0.02    -0.01  -0.07   0.11
     6   6    -0.03   0.02  -0.03     0.01  -0.01   0.02    -0.02   0.01  -0.03
     7   8    -0.01  -0.01   0.01     0.01   0.01  -0.01     0.00  -0.00   0.01
     8   6     0.01   0.03   0.04    -0.01   0.03  -0.04     0.00   0.00  -0.00
     9   6     0.02   0.09   0.03    -0.01   0.07   0.00    -0.00   0.00   0.00
    10   6    -0.10  -0.02  -0.01    -0.02   0.00  -0.04     0.01  -0.00   0.01
    11   6     0.02  -0.00   0.01    -0.01  -0.00  -0.00    -0.00   0.01  -0.01
    12   1     0.03  -0.10  -0.05     0.01  -0.51  -0.23     0.01  -0.03  -0.02
    13   1     0.09  -0.34  -0.16     0.07   0.03   0.05     0.01   0.01   0.01
    14   1    -0.03  -0.18  -0.01     0.01  -0.52  -0.30     0.16   0.05  -0.00
    15   1     0.54   0.19  -0.05     0.02   0.09   0.03    -0.11  -0.02   0.03
    16   1     0.19   0.01  -0.03     0.03  -0.06  -0.01     0.00   0.04  -0.01
    17   1    -0.05  -0.01  -0.06    -0.05  -0.03  -0.25     0.02  -0.01  -0.06
    18   1    -0.02  -0.10   0.04    -0.08  -0.10  -0.09    -0.03   0.02  -0.04
    19   1     0.05  -0.06   0.11     0.08  -0.05  -0.07     0.02  -0.01  -0.03
    20   1    -0.00  -0.13   0.02    -0.05   0.18  -0.02    -0.01   0.02   0.00
    21   1     0.01   0.07  -0.10    -0.07   0.08   0.06    -0.01   0.01   0.00
    22   1    -0.08  -0.01  -0.09     0.05   0.07   0.04     0.00   0.01  -0.00
    23   1    -0.29  -0.03  -0.06     0.11  -0.02   0.01     0.80   0.22  -0.10
    24   1    -0.42  -0.12   0.02     0.22   0.03  -0.03    -0.41  -0.15   0.11
    25   1    -0.04   0.01   0.02     0.02  -0.01  -0.01     0.02  -0.01   0.07
    26   1    -0.03  -0.03  -0.01     0.02   0.02   0.00     0.03  -0.05   0.04
    27   1     0.01  -0.03   0.05    -0.01   0.02  -0.02    -0.02  -0.06   0.09
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1387.2563              1391.4858              1405.5931
 Red. masses --      1.4413                 1.3678                 1.3103
 Frc consts  --      1.6343                 1.5604                 1.5252
 IR Inten    --     36.1194                 9.5988                11.8555
 RamAct Fr= 1--      3.3526                 8.3792                 1.3394
  Dep-P Fr= 1--      0.1275                 0.3333                 0.1945
  Dep-U Fr= 1--      0.2262                 0.5000                 0.3257
 Alpha2 Fr= 1--      0.0548                 0.0776                 0.0185
 Beta2  Fr= 1--      0.1264                 0.6983                 0.0727
 AlphaG Fr= 1--      0.0028                 0.0076                -0.0442
 Gamma2 Fr= 1--      0.0402                -0.8923                 0.0247
 Delta2 Fr= 1--      0.0084                -0.0397                 0.1971
 Raman1 Fr= 1--      13.410                 33.517                  5.358
 ROA1   Fr= 1--       4.130                -86.926                  8.682
 CID1   Fr= 1--       0.308                 -2.594                  1.620
 Raman2 Fr= 1--       1.517                  8.379                  0.873
 ROA2   Fr= 1--       0.898                -21.097                 -0.983
 CID2   Fr= 1--       0.592                 -2.518                 -1.127
 Raman3 Fr= 1--       3.033                 16.758                  1.745
 ROA3   Fr= 1--       4.130                -86.926                  8.682
 CID3   Fr= 1--       1.362                 -5.187                  4.975
 RC180  Fr= 1--      -0.548                 -0.000                 -0.349
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.01    -0.00   0.01   0.02     0.02  -0.01   0.09
     2   6     0.01  -0.02   0.03     0.02  -0.02   0.03    -0.01   0.03  -0.04
     3   6    -0.09  -0.02  -0.01    -0.11  -0.02  -0.01     0.03  -0.00   0.01
     4   6     0.01   0.01  -0.01     0.02   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.07   0.01   0.01     0.07   0.03  -0.03    -0.01  -0.00   0.00
     6   6    -0.04   0.02  -0.05     0.02  -0.01   0.02    -0.00  -0.00  -0.00
     7   8    -0.00  -0.01   0.01    -0.02  -0.01   0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.01    -0.00  -0.01  -0.01     0.03  -0.11   0.03
     9   6     0.00   0.00  -0.01     0.00   0.00  -0.01     0.00  -0.01   0.01
    10   6     0.02   0.00   0.01     0.02   0.00   0.02    -0.01   0.00  -0.00
    11   6     0.03  -0.06   0.11    -0.01   0.05  -0.08    -0.00  -0.00   0.00
    12   1     0.03  -0.01  -0.03     0.04  -0.01  -0.03    -0.01   0.04   0.03
    13   1     0.06   0.01   0.05     0.07   0.01   0.05    -0.04  -0.02  -0.03
    14   1     0.49   0.07   0.04     0.59   0.09   0.05    -0.16   0.02   0.02
    15   1    -0.09  -0.03   0.03    -0.10  -0.04   0.02     0.03  -0.01  -0.03
    16   1    -0.01   0.05  -0.01     0.00   0.06  -0.01     0.01  -0.05   0.02
    17   1     0.01  -0.01  -0.08     0.00  -0.03  -0.11    -0.02  -0.13  -0.32
    18   1    -0.04  -0.01  -0.05    -0.06  -0.02  -0.08    -0.18   0.09  -0.31
    19   1     0.04  -0.01  -0.07     0.05  -0.00  -0.11     0.05   0.14  -0.33
    20   1     0.00   0.05  -0.00     0.00   0.07   0.00    -0.07   0.39   0.08
    21   1    -0.04   0.04   0.00    -0.06   0.06   0.00    -0.25   0.32  -0.16
    22   1     0.03   0.05   0.01     0.03   0.07   0.00     0.05   0.38  -0.22
    23   1    -0.13  -0.01  -0.01    -0.32  -0.06   0.01     0.01   0.00   0.00
    24   1    -0.11  -0.02   0.01    -0.22  -0.02  -0.04     0.05   0.01   0.00
    25   1    -0.14   0.05  -0.46     0.05  -0.02   0.37     0.00  -0.00  -0.02
    26   1    -0.20   0.34  -0.28     0.11  -0.30   0.19    -0.00   0.02  -0.01
    27   1     0.11   0.22  -0.32    -0.06  -0.16   0.24     0.00   0.01  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1421.6368              1471.4374              1479.9732
 Red. masses --      1.2283                 1.0568                 1.0473
 Frc consts  --      1.4626                 1.3481                 1.3515
 IR Inten    --      3.2955                10.2988                10.6960
 RamAct Fr= 1--      2.0470                 3.5255                 4.5292
  Dep-P Fr= 1--      0.6344                 0.7417                 0.7500
  Dep-U Fr= 1--      0.7763                 0.8517                 0.8571
 Alpha2 Fr= 1--      0.0043                 0.0005                 0.0000
 Beta2  Fr= 1--      0.2649                 0.5004                 0.6470
 AlphaG Fr= 1--     -0.0112                -0.0035                -0.0007
 Gamma2 Fr= 1--     -0.2073                -0.4390                -0.4266
 Delta2 Fr= 1--      0.0383                -0.2541                -0.2782
 Raman1 Fr= 1--       8.188                 14.102                 18.117
 ROA1   Fr= 1--     -18.671                -50.279                -49.852
 CID1   Fr= 1--      -2.280                 -3.565                 -2.752
 Raman2 Fr= 1--       3.178                  6.005                  7.764
 ROA2   Fr= 1--      -5.280                 -8.504                 -8.013
 CID2   Fr= 1--      -1.661                 -1.416                 -1.032
 Raman3 Fr= 1--       6.357                 12.010                 15.528
 ROA3   Fr= 1--     -18.671                -50.279                -49.852
 CID3   Fr= 1--      -2.937                 -4.186                 -3.210
 RC180  Fr= 1--       0.553                  0.703                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.10    -0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.01   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00   0.01  -0.02     0.00  -0.02  -0.01
     7   8    -0.00  -0.00   0.00    -0.02  -0.01   0.02     0.00   0.00   0.00
     8   6     0.02  -0.09   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9   6    -0.01   0.01   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.05  -0.01  -0.01     0.01  -0.05  -0.03
    12   1     0.06  -0.02  -0.05     0.01   0.00  -0.00    -0.01  -0.00   0.01
    13   1     0.05  -0.04   0.03     0.01  -0.00   0.01    -0.01   0.00  -0.01
    14   1     0.07  -0.03  -0.01     0.03   0.00   0.01    -0.00   0.00   0.00
    15   1    -0.01   0.03   0.03    -0.00   0.01   0.01     0.00   0.01   0.01
    16   1    -0.01   0.03  -0.02    -0.00   0.01  -0.01    -0.00   0.01  -0.01
    17   1     0.02   0.14   0.38     0.02   0.01   0.01     0.02   0.01   0.02
    18   1     0.24  -0.04   0.36    -0.01   0.00  -0.01    -0.01  -0.01  -0.01
    19   1    -0.11  -0.11   0.41     0.02  -0.02   0.00     0.02  -0.03  -0.00
    20   1    -0.05   0.33   0.05    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    21   1    -0.25   0.29  -0.08    -0.00   0.00   0.01    -0.01   0.00   0.02
    22   1     0.09   0.35  -0.13     0.00   0.01   0.00     0.01   0.01   0.00
    23   1     0.01   0.00  -0.01    -0.05  -0.01  -0.00     0.00  -0.01  -0.00
    24   1    -0.02  -0.01  -0.00    -0.01   0.00  -0.00     0.00   0.00   0.00
    25   1    -0.00  -0.00   0.01     0.52  -0.12  -0.33    -0.44   0.11  -0.19
    26   1    -0.00  -0.01   0.00     0.41   0.49   0.06     0.40  -0.01   0.26
    27   1    -0.00  -0.00   0.00    -0.10  -0.23   0.35    -0.12   0.61   0.37
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1483.4752              1486.8291              1493.0115
 Red. masses --      1.0697                 1.0460                 1.0651
 Frc consts  --      1.3870                 1.3624                 1.3988
 IR Inten    --      0.8346                 0.3767                 6.9142
 RamAct Fr= 1--      8.4358                 8.7591                11.0237
  Dep-P Fr= 1--      0.6625                 0.7145                 0.7028
  Dep-U Fr= 1--      0.7970                 0.8335                 0.8255
 Alpha2 Fr= 1--      0.0132                 0.0054                 0.0090
 Beta2  Fr= 1--      1.1205                 1.2168                 1.5166
 AlphaG Fr= 1--      0.0212                 0.0132                -0.0349
 Gamma2 Fr= 1--      2.2414                -1.5901                -1.1910
 Delta2 Fr= 1--      0.3263                -0.8352                 0.6861
 Raman1 Fr= 1--      33.743                 35.036                 44.095
 ROA1   Fr= 1--     225.612               -179.371                -92.379
 CID1   Fr= 1--       6.686                 -5.120                 -2.095
 Raman2 Fr= 1--      13.446                 14.602                 18.200
 ROA2   Fr= 1--      51.183                -31.480                -34.072
 CID2   Fr= 1--       3.807                 -2.156                 -1.872
 Raman3 Fr= 1--      26.892                 29.203                 36.400
 ROA3   Fr= 1--     225.612               -179.371                -92.379
 CID3   Fr= 1--       8.390                 -6.142                 -2.538
 RC180  Fr= 1--       0.594                  0.667                  0.651
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02  -0.00     0.03   0.00  -0.00    -0.00   0.02   0.01
     2   6    -0.00  -0.01   0.01    -0.01  -0.00   0.00    -0.01   0.00  -0.03
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     7   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     8   6     0.01   0.01   0.02    -0.04  -0.01   0.01    -0.01  -0.01  -0.04
     9   6    -0.05   0.00  -0.01    -0.01   0.00   0.00    -0.02   0.00   0.00
    10   6    -0.01   0.04   0.01    -0.00   0.01   0.00    -0.01   0.04   0.01
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   1     0.35   0.12  -0.20     0.07   0.02  -0.04     0.17   0.09  -0.09
    13   1     0.31  -0.08   0.26     0.06  -0.02   0.05     0.14  -0.06   0.11
    14   1     0.01  -0.02  -0.01     0.01   0.00  -0.00    -0.04   0.02   0.01
    15   1     0.02  -0.25  -0.26    -0.01  -0.07  -0.07     0.02  -0.25  -0.26
    16   1     0.10  -0.30   0.17     0.03  -0.07   0.04     0.10  -0.30   0.17
    17   1     0.13  -0.03  -0.15    -0.41  -0.09   0.02     0.02   0.05   0.12
    18   1     0.10   0.28   0.00     0.06  -0.18   0.17    -0.10  -0.17  -0.06
    19   1    -0.13   0.07   0.15    -0.14   0.26  -0.12     0.15  -0.14  -0.07
    20   1    -0.13   0.14   0.05     0.53   0.15  -0.08     0.08  -0.31  -0.06
    21   1     0.17  -0.13  -0.14     0.00   0.12  -0.41    -0.25   0.16   0.35
    22   1    -0.19  -0.15  -0.22     0.08  -0.18   0.29     0.28   0.24   0.30
    23   1    -0.00  -0.00  -0.00     0.02   0.00  -0.00     0.02   0.01  -0.00
    24   1     0.00   0.00   0.00    -0.01  -0.00   0.00     0.01  -0.00   0.00
    25   1    -0.02   0.00  -0.01    -0.00   0.00  -0.02     0.00  -0.00   0.00
    26   1     0.02   0.00   0.01     0.03   0.01   0.01    -0.01  -0.00  -0.01
    27   1    -0.01   0.03   0.02    -0.01   0.02   0.03     0.00  -0.01  -0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1502.9881              1506.4665              1510.2449
 Red. masses --      1.1109                 1.0606                 1.0615
 Frc consts  --      1.4786                 1.4182                 1.4265
 IR Inten    --      2.2951                 7.2824                 6.3211
 RamAct Fr= 1--      8.8618                 4.8197                 2.1011
  Dep-P Fr= 1--      0.4526                 0.7496                 0.5824
  Dep-U Fr= 1--      0.6232                 0.8569                 0.7361
 Alpha2 Fr= 1--      0.0538                 0.0000                 0.0066
 Beta2  Fr= 1--      0.9204                 0.6883                 0.2578
 AlphaG Fr= 1--     -0.0096                 0.0004                -0.0032
 Gamma2 Fr= 1--     -0.3772                 0.5752                -0.1980
 Delta2 Fr= 1--     -0.3653                -1.1916                 0.2768
 Raman1 Fr= 1--      35.447                 19.279                  8.404
 ROA1   Fr= 1--     -47.904                 17.089                -10.155
 CID1   Fr= 1--      -1.351                  0.886                 -1.208
 Raman2 Fr= 1--      11.045                  8.260                  3.093
 ROA2   Fr= 1--      -6.132                 23.338                 -6.967
 CID2   Fr= 1--      -0.555                  2.826                 -2.253
 Raman3 Fr= 1--      22.090                 16.519                  6.186
 ROA3   Fr= 1--     -47.904                 17.089                -10.155
 CID3   Fr= 1--      -2.169                  1.035                 -1.642
 RC180  Fr= 1--       0.246                  0.714                  0.472
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.01    -0.00  -0.04   0.01    -0.04  -0.00  -0.00
     2   6    -0.02   0.03   0.01    -0.01  -0.02  -0.02    -0.03  -0.01   0.01
     3   6     0.02  -0.00  -0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     7   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     8   6    -0.01  -0.01   0.01    -0.01   0.00  -0.02    -0.02  -0.01   0.01
     9   6    -0.06  -0.01  -0.00    -0.02   0.00   0.00     0.03   0.01   0.00
    10   6     0.01  -0.05  -0.01     0.00  -0.03  -0.01    -0.00   0.02   0.00
    11   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   1     0.37   0.16  -0.20     0.12   0.04  -0.06    -0.18  -0.09   0.10
    13   1     0.31  -0.08   0.28     0.10  -0.04   0.08    -0.15   0.05  -0.14
    14   1    -0.08   0.00  -0.00    -0.03   0.00   0.00     0.01   0.00   0.00
    15   1    -0.01   0.26   0.26    -0.01   0.19   0.19     0.01  -0.10  -0.11
    16   1    -0.09   0.28  -0.18    -0.06   0.22  -0.13     0.05  -0.11   0.07
    17   1     0.15   0.09   0.16     0.14  -0.09  -0.33     0.51   0.12  -0.01
    18   1    -0.18  -0.18  -0.18     0.18   0.48   0.02    -0.06   0.24  -0.21
    19   1     0.25  -0.27  -0.10    -0.26   0.21   0.22     0.15  -0.33   0.20
    20   1     0.12   0.08  -0.01     0.17  -0.20  -0.06     0.36   0.14  -0.05
    21   1     0.04  -0.00  -0.14    -0.16   0.13   0.15    -0.00   0.10  -0.31
    22   1    -0.02  -0.10   0.04     0.20   0.11   0.27     0.04  -0.14   0.18
    23   1     0.00   0.00   0.01    -0.02  -0.01   0.00    -0.01   0.00   0.01
    24   1     0.02   0.01   0.00     0.01   0.00  -0.00    -0.00   0.00  -0.00
    25   1    -0.01   0.00   0.01    -0.01   0.00   0.00    -0.01   0.00   0.01
    26   1    -0.02  -0.01  -0.01     0.01  -0.00   0.00    -0.01  -0.01  -0.00
    27   1     0.00  -0.00  -0.02    -0.00   0.01   0.00     0.00  -0.00  -0.01
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1692.7875              1736.9267              3018.5886
 Red. masses --      5.8220                 9.8999                 1.0347
 Frc consts  --      9.8295                17.5971                 5.5549
 IR Inten    --     54.9441               283.4844                24.8928
 RamAct Fr= 1--    602.0001               338.5310                88.2437
  Dep-P Fr= 1--      0.2871                 0.3215                 0.0470
  Dep-U Fr= 1--      0.4462                 0.4866                 0.0898
 Alpha2 Fr= 1--      6.4144                 3.2525                 1.7555
 Beta2  Fr= 1--     44.7644                27.4526                 1.3209
 AlphaG Fr= 1--     -0.1416                -0.1174                -0.1428
 Gamma2 Fr= 1--     -0.7930                 3.0840                -1.0466
 Delta2 Fr= 1--      1.2577                -0.4923                -1.5425
 Raman1 Fr= 1--    2408.000               1354.124                352.975
 ROA1   Fr= 1--     -35.878                280.306               -149.833
 CID1   Fr= 1--      -0.015                  0.207                 -0.424
 Raman2 Fr= 1--     537.173                329.431                 15.851
 ROA2   Fr= 1--     -29.093                 77.954                -12.779
 CID2   Fr= 1--      -0.054                  0.237                 -0.806
 Raman3 Fr= 1--    1074.346                658.863                 31.701
 ROA3   Fr= 1--     -35.878                280.306               -149.833
 CID3   Fr= 1--      -0.033                  0.425                 -4.726
 RC180  Fr= 1--      -0.108                 -0.027                 -0.820
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.01
     2   6    -0.01  -0.00   0.01    -0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.08  -0.02  -0.00     0.01   0.00   0.00     0.00  -0.00   0.00
     4   6     0.43   0.16  -0.12    -0.00   0.00  -0.01    -0.00  -0.00   0.00
     5   6    -0.40  -0.16   0.12    -0.06  -0.03   0.03    -0.00  -0.00   0.00
     6   6    -0.00  -0.01   0.02     0.53   0.33  -0.35     0.00  -0.00   0.00
     7   8     0.05   0.02  -0.02    -0.34  -0.21   0.22    -0.00  -0.00   0.00
     8   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.05  -0.00
     9   6     0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    11   6    -0.01  -0.00   0.00    -0.03  -0.02   0.03    -0.00  -0.00   0.00
    12   1    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.02   0.01  -0.03
    13   1     0.00   0.01  -0.00     0.00  -0.00   0.00    -0.01  -0.01   0.02
    14   1     0.24   0.04   0.02    -0.00   0.00   0.00    -0.00   0.02  -0.03
    15   1     0.02   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    16   1     0.03   0.03  -0.01     0.01   0.01  -0.01    -0.00   0.00  -0.00
    17   1     0.01  -0.00  -0.01    -0.00  -0.00   0.00     0.03  -0.13   0.03
    18   1    -0.01   0.01  -0.02    -0.00   0.00  -0.00    -0.14   0.05   0.08
    19   1     0.01  -0.01   0.00    -0.00   0.00   0.00     0.13   0.10   0.04
    20   1    -0.00   0.01   0.00    -0.00   0.00  -0.00     0.08  -0.02   0.48
    21   1     0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.44  -0.34  -0.14
    22   1    -0.01  -0.03   0.00    -0.00  -0.01   0.00     0.49  -0.17  -0.29
    23   1    -0.53  -0.00  -0.15    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    24   1     0.40  -0.03   0.17     0.30   0.05   0.01    -0.00   0.00  -0.00
    25   1     0.04  -0.02  -0.01    -0.09  -0.01   0.19     0.00   0.00   0.00
    26   1     0.03   0.02   0.02    -0.05  -0.19   0.08     0.00  -0.00  -0.00
    27   1    -0.01   0.01  -0.01     0.04   0.16  -0.25     0.00   0.00   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3026.9186              3040.8371              3050.9400
 Red. masses --      1.0351                 1.0371                 1.0668
 Frc consts  --      5.5875                 5.6501                 5.8505
 IR Inten    --     23.9058                 4.0204                26.1464
 RamAct Fr= 1--    197.7962               149.1597                45.7786
  Dep-P Fr= 1--      0.0235                 0.0090                 0.5830
  Dep-U Fr= 1--      0.0459                 0.0179                 0.7365
 Alpha2 Fr= 1--      4.1600                 3.2454                 0.1431
 Beta2  Fr= 1--      1.5137                 0.4451                 5.6196
 AlphaG Fr= 1--     -0.0525                -0.8153                 0.1224
 Gamma2 Fr= 1--      1.7444                -0.2513                -4.1184
 Delta2 Fr= 1--      0.8331                 1.2750                -4.1627
 Raman1 Fr= 1--     791.185                596.639                183.115
 ROA1   Fr= 1--     194.121                 16.671               -528.576
 CID1   Fr= 1--       0.245                  0.028                 -2.887
 Raman2 Fr= 1--      18.165                  5.341                 67.435
 ROA2   Fr= 1--      35.201                -16.232                -65.541
 CID2   Fr= 1--       1.938                 -3.039                 -0.972
 Raman3 Fr= 1--      36.330                 10.681                134.871
 ROA3   Fr= 1--     194.121                 16.671               -528.576
 CID3   Fr= 1--       5.343                  1.561                 -3.919
 RC180  Fr= 1--      -0.908                 -0.964                  0.473
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.05     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.02  -0.04
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   8    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   6     0.01  -0.00   0.00    -0.00  -0.00  -0.00     0.05   0.00   0.01
    10   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.02   0.01
    11   6    -0.00  -0.00   0.00    -0.01  -0.03   0.04     0.00   0.00   0.00
    12   1    -0.03   0.02  -0.05     0.00  -0.00   0.00    -0.26   0.17  -0.42
    13   1    -0.03  -0.02   0.04     0.00   0.00  -0.00    -0.31  -0.21   0.36
    14   1    -0.00   0.03  -0.05    -0.00  -0.00   0.00    -0.01  -0.27   0.53
    15   1     0.01  -0.03   0.04    -0.00   0.00  -0.00    -0.07   0.17  -0.19
    16   1    -0.00  -0.01  -0.02     0.00   0.00   0.00     0.01   0.06   0.12
    17   1    -0.11   0.49  -0.13     0.00  -0.00   0.00     0.00  -0.01   0.00
    18   1     0.47  -0.16  -0.27    -0.00   0.00   0.00     0.00   0.00   0.00
    19   1    -0.43  -0.34  -0.16     0.00   0.00   0.00     0.00   0.00   0.00
    20   1     0.02  -0.01   0.14    -0.00   0.00  -0.00    -0.00   0.00  -0.02
    21   1    -0.12  -0.09  -0.04     0.00   0.00   0.00     0.01   0.01   0.00
    22   1     0.13  -0.05  -0.08    -0.00   0.00   0.00     0.01  -0.00  -0.01
    23   1     0.00  -0.01   0.02     0.00  -0.01   0.02    -0.00   0.02  -0.03
    24   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.01  -0.01
    25   1     0.00   0.00   0.00     0.16   0.62   0.07    -0.00  -0.00  -0.00
    26   1     0.00  -0.00  -0.00     0.35  -0.26  -0.48     0.00   0.00   0.00
    27   1    -0.00  -0.00  -0.00    -0.38  -0.03  -0.08    -0.00  -0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3055.1192              3060.4671              3077.2194
 Red. masses --      1.0740                 1.0623                 1.1013
 Frc consts  --      5.9065                 5.8621                 6.1445
 IR Inten    --     26.2822                28.6226                11.8422
 RamAct Fr= 1--    247.9158               113.3057                51.9968
  Dep-P Fr= 1--      0.0510                 0.0813                 0.6894
  Dep-U Fr= 1--      0.0970                 0.1504                 0.8162
 Alpha2 Fr= 1--      4.8860                 2.0761                 0.0553
 Beta2  Fr= 1--      4.0066                 2.8403                 7.0729
 AlphaG Fr= 1--     -0.6596                -0.2405                -0.0165
 Gamma2 Fr= 1--      2.5934                 5.4623                 6.3767
 Delta2 Fr= 1--     -1.1379                -8.3550                 2.7315
 Raman1 Fr= 1--     991.663                453.223                207.987
 ROA1   Fr= 1--     212.552                257.021                699.575
 CID1   Fr= 1--       0.214                  0.567                  3.364
 Raman2 Fr= 1--      48.080                 34.083                 84.875
 ROA2   Fr= 1--      71.344                197.935                131.189
 CID2   Fr= 1--       1.484                  5.807                  1.546
 Raman3 Fr= 1--      96.159                 68.167                169.750
 ROA3   Fr= 1--     212.552                257.021                699.575
 CID3   Fr= 1--       2.210                  3.770                  4.121
 RC180  Fr= 1--      -0.806                 -0.699                  0.632
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.01  -0.00     0.02   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00   0.03  -0.05    -0.00   0.01  -0.02     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00   0.01   0.01    -0.00  -0.00   0.00    -0.08  -0.02   0.02
     9   6    -0.04  -0.00  -0.01     0.01  -0.00   0.01    -0.00  -0.00   0.00
    10   6     0.00  -0.01   0.02    -0.02   0.06  -0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   1     0.26  -0.16   0.41    -0.09   0.05  -0.14    -0.01   0.00  -0.01
    13   1     0.25   0.17  -0.29    -0.00  -0.00   0.01     0.01   0.01  -0.02
    14   1    -0.01  -0.32   0.64    -0.00  -0.13   0.26     0.00   0.02  -0.03
    15   1    -0.05   0.13  -0.14     0.20  -0.49   0.55    -0.00   0.01  -0.01
    16   1    -0.00  -0.03  -0.05    -0.02  -0.23  -0.48     0.00   0.01   0.03
    17   1    -0.01   0.04  -0.01    -0.01   0.04  -0.01     0.00   0.03  -0.01
    18   1     0.03  -0.01  -0.02    -0.05   0.02   0.03    -0.16   0.06   0.10
    19   1    -0.05  -0.04  -0.02     0.03   0.02   0.01    -0.13  -0.10  -0.05
    20   1    -0.00  -0.00  -0.02    -0.01   0.00  -0.03    -0.03   0.00  -0.06
    21   1    -0.05  -0.04  -0.01     0.01   0.01   0.00     0.49   0.41   0.16
    22   1     0.07  -0.03  -0.04     0.02  -0.01  -0.01     0.56  -0.22  -0.34
    23   1    -0.00   0.02  -0.03    -0.00   0.02  -0.03     0.00  -0.01   0.01
    24   1    -0.00   0.01  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    27   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3086.9332              3087.1375              3091.0159
 Red. masses --      1.1014                 1.1020                 1.1009
 Frc consts  --      6.1837                 6.1877                 6.1972
 IR Inten    --     44.1205                17.0886                36.1633
 RamAct Fr= 1--    109.8035                44.3659                55.7387
  Dep-P Fr= 1--      0.7070                 0.6872                 0.7331
  Dep-U Fr= 1--      0.8283                 0.8146                 0.8460
 Alpha2 Fr= 1--      0.0820                 0.0489                 0.0161
 Beta2  Fr= 1--     15.1588                 6.0236                 7.8589
 AlphaG Fr= 1--      0.0175                -0.3024                 0.0666
 Gamma2 Fr= 1--     12.1176                15.6734                -4.2649
 Delta2 Fr= 1--      3.7561                15.1619               -10.4211
 Raman1 Fr= 1--     439.214                177.464                222.955
 ROA1   Fr= 1--    1283.489               1989.831               -742.908
 CID1   Fr= 1--       2.922                 11.213                 -3.332
 Raman2 Fr= 1--     181.906                 72.283                 94.307
 ROA2   Fr= 1--     260.774                254.867                -18.989
 CID2   Fr= 1--       1.434                  3.526                 -0.201
 Raman3 Fr= 1--     363.812                144.566                188.613
 ROA3   Fr= 1--    1283.489               1989.831               -742.908
 CID3   Fr= 1--       3.528                 13.764                 -3.939
 RC180  Fr= 1--       0.657                  0.629                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.01   0.01     0.00   0.03   0.00    -0.00  -0.09  -0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00  -0.01     0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     7   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     8   6    -0.02  -0.00   0.00    -0.01  -0.02  -0.08    -0.01  -0.01  -0.02
     9   6     0.00   0.00  -0.01    -0.00  -0.01   0.02    -0.00   0.00  -0.00
    10   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    12   1     0.03  -0.02   0.05    -0.07   0.04  -0.10     0.03  -0.02   0.04
    13   1    -0.03  -0.02   0.04     0.11   0.07  -0.12    -0.01  -0.01   0.02
    14   1     0.00   0.00  -0.00    -0.00  -0.03   0.07    -0.00  -0.01   0.02
    15   1     0.00  -0.00   0.00     0.00  -0.01   0.01    -0.01   0.01  -0.02
    16   1    -0.00  -0.03  -0.06     0.00  -0.00  -0.00     0.00   0.03   0.07
    17   1     0.02  -0.19   0.06     0.05  -0.21   0.06    -0.17   0.73  -0.21
    18   1     0.61  -0.22  -0.37     0.04  -0.01  -0.02    -0.16   0.03   0.10
    19   1     0.41   0.34   0.17    -0.11  -0.08  -0.04     0.39   0.28   0.15
    20   1    -0.00  -0.00   0.01     0.14  -0.06   0.79     0.04  -0.02   0.24
    21   1     0.14   0.12   0.05     0.28   0.22   0.07     0.11   0.09   0.03
    22   1     0.15  -0.06  -0.09    -0.24   0.09   0.13    -0.06   0.02   0.03
    23   1    -0.00   0.02  -0.03    -0.00   0.01  -0.02     0.00  -0.01   0.02
    24   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    26   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    27   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3095.5215              3096.6035              3113.7915
 Red. masses --      1.1066                 1.0993                 1.1071
 Frc consts  --      6.2475                 6.2105                 6.3243
 IR Inten    --     21.5533                 8.4025                47.4700
 RamAct Fr= 1--    115.5202                34.8378               107.1785
  Dep-P Fr= 1--      0.4782                 0.7483                 0.5403
  Dep-U Fr= 1--      0.6470                 0.8560                 0.7015
 Alpha2 Fr= 1--      0.6295                 0.0010                 0.4324
 Beta2  Fr= 1--     12.4563                 4.9704                12.5315
 AlphaG Fr= 1--      0.4870                -0.0628                 0.1315
 Gamma2 Fr= 1--     -4.9663                -1.1519                -7.2698
 Delta2 Fr= 1--     12.3432                -1.5502               -12.9343
 Raman1 Fr= 1--     462.081                139.351                428.714
 ROA1   Fr= 1--     -81.786               -160.187              -1111.793
 CID1   Fr= 1--      -0.177                 -1.150                 -2.593
 Raman2 Fr= 1--     149.476                 59.645                150.378
 ROA2   Fr= 1--    -217.937                -15.244                -71.000
 CID2   Fr= 1--      -1.458                 -0.256                 -0.472
 Raman3 Fr= 1--     298.951                119.291                300.755
 ROA3   Fr= 1--     -81.786               -160.187              -1111.793
 CID3   Fr= 1--      -0.274                 -1.343                 -3.697
 RC180  Fr= 1--       0.294                  0.712                  0.403
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.00   0.01   0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.01    -0.00   0.00   0.00     0.00   0.01  -0.01
     4   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   8     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
     9   6     0.01   0.04  -0.07     0.00   0.00  -0.00    -0.00   0.02  -0.04
    10   6     0.00   0.01   0.04     0.00  -0.00   0.00    -0.01   0.00  -0.08
    11   6     0.00   0.00   0.00     0.02  -0.08  -0.05     0.00   0.00   0.00
    12   1     0.28  -0.16   0.42     0.00  -0.00   0.00     0.19  -0.11   0.28
    13   1    -0.41  -0.26   0.43    -0.00  -0.00   0.00    -0.19  -0.12   0.20
    14   1     0.00   0.03  -0.06     0.00  -0.00   0.00    -0.00  -0.06   0.11
    15   1    -0.04   0.11  -0.11    -0.00   0.00  -0.00     0.14  -0.34   0.36
    16   1    -0.02  -0.21  -0.40     0.00  -0.00   0.00     0.02   0.32   0.60
    17   1     0.01  -0.04   0.01    -0.00   0.00  -0.00     0.02  -0.07   0.02
    18   1    -0.06   0.03   0.04     0.00  -0.00  -0.00     0.01  -0.00  -0.01
    19   1    -0.07  -0.06  -0.03     0.00   0.00   0.00    -0.04  -0.03  -0.01
    20   1     0.03  -0.01   0.15     0.00  -0.00   0.00     0.01  -0.01   0.06
    21   1     0.06   0.05   0.02     0.00   0.00   0.00     0.02   0.01   0.00
    22   1    -0.05   0.02   0.02    -0.00   0.00   0.00    -0.01   0.00   0.01
    23   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.03  -0.05
    24   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    25   1    -0.00  -0.00  -0.00     0.19   0.68   0.06     0.00   0.00   0.00
    26   1     0.00  -0.00  -0.00    -0.39   0.26   0.53     0.00  -0.00  -0.00
    27   1    -0.00  -0.00  -0.00     0.00  -0.02  -0.01    -0.00  -0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3145.2081              3147.1515              3158.3821
 Red. masses --      1.0953                 1.0952                 1.0873
 Frc consts  --      6.3840                 6.3910                 6.3906
 IR Inten    --     13.0724                 4.9024                12.1865
 RamAct Fr= 1--     92.2380                69.4627                38.7258
  Dep-P Fr= 1--      0.2220                 0.6854                 0.2199
  Dep-U Fr= 1--      0.3634                 0.8133                 0.3606
 Alpha2 Fr= 1--      1.1808                 0.0789                 0.4985
 Beta2  Fr= 1--      5.5861                 9.4159                 2.3273
 AlphaG Fr= 1--      0.1247                -0.0232                 0.4114
 Gamma2 Fr= 1--     -3.4282                -3.7264                 5.2991
 Delta2 Fr= 1--     -0.3932                -4.1466                 2.8910
 Raman1 Fr= 1--     368.952                277.851                154.903
 ROA1   Fr= 1--    -341.691               -490.425                601.225
 CID1   Fr= 1--      -0.926                 -1.765                  3.881
 Raman2 Fr= 1--      67.033                112.991                 27.928
 ROA2   Fr= 1--     -79.131                -56.260                104.050
 CID2   Fr= 1--      -1.180                 -0.498                  3.726
 Raman3 Fr= 1--     134.066                225.983                 55.856
 ROA3   Fr= 1--    -341.691               -490.425                601.225
 CID3   Fr= 1--      -2.549                 -2.170                 10.764
 RC180  Fr= 1--      -0.273                  0.627                 -0.279
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00   0.03  -0.05     0.00  -0.03   0.05    -0.01   0.01  -0.02
     5   6    -0.00  -0.01   0.02     0.00   0.01  -0.02    -0.01   0.04  -0.07
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     9   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.06  -0.01  -0.00    -0.06  -0.01  -0.00     0.01   0.00   0.00
    12   1     0.00  -0.00   0.01    -0.00   0.00  -0.01     0.00  -0.00   0.00
    13   1    -0.01  -0.00   0.01     0.01   0.00  -0.01    -0.00  -0.00   0.00
    14   1    -0.00  -0.02   0.04     0.00   0.02  -0.04     0.00  -0.02   0.04
    15   1     0.01  -0.02   0.02    -0.01   0.02  -0.02     0.00  -0.01   0.01
    16   1     0.00   0.01   0.01    -0.00  -0.01  -0.01     0.00   0.00   0.01
    17   1     0.01  -0.03   0.01    -0.01   0.03  -0.01     0.00  -0.01   0.00
    18   1     0.01  -0.00  -0.01    -0.01   0.00   0.01     0.01  -0.00  -0.00
    19   1     0.01   0.01   0.00    -0.01  -0.01  -0.00     0.00   0.00   0.00
    20   1     0.00  -0.00   0.01    -0.00   0.00  -0.01     0.00  -0.00   0.00
    21   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    22   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    23   1     0.07  -0.34   0.57    -0.07   0.34  -0.56     0.03  -0.17   0.29
    24   1    -0.02   0.10  -0.16     0.02  -0.15   0.24     0.08  -0.48   0.80
    25   1     0.04   0.18   0.02     0.04   0.19   0.02    -0.00  -0.02  -0.00
    26   1     0.09  -0.07  -0.14     0.10  -0.08  -0.15    -0.01   0.01   0.01
    27   1     0.65   0.04   0.15     0.61   0.04   0.14    -0.06  -0.00  -0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   843.955453611.893103665.80758
           X            0.99982  -0.01289   0.01425
           Y            0.01449   0.99285  -0.11849
           Z           -0.01262   0.11868   0.99285
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10263     0.02398     0.02363
 Rotational constants (GHZ):           2.13843     0.49967     0.49232
 Zero-point vibrational energy     622373.4 (Joules/Mol)
                                  148.75082 (Kcal/Mol)
 Warning -- explicit consideration of  19 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     49.01    92.74   116.65   178.79   211.82
          (Kelvin)            231.74   318.28   352.76   391.11   417.78
                              453.79   505.84   535.33   587.96   653.60
                              759.66   827.84   843.10   890.07  1053.90
                             1146.59  1190.02  1242.70  1268.28  1313.73
                             1370.00  1386.67  1397.88  1436.54  1452.40
                             1473.45  1477.96  1511.57  1580.31  1667.87
                             1703.14  1726.54  1762.33  1793.07  1810.48
                             1835.88  1840.41  1853.49  1893.60  1924.37
                             1995.95  2002.04  2022.34  2045.42  2117.07
                             2129.35  2134.39  2139.22  2148.11  2162.46
                             2167.47  2172.91  2435.54  2499.05  4343.08
                             4355.06  4375.09  4389.62  4395.64  4403.33
                             4427.43  4441.41  4441.70  4447.28  4453.77
                             4455.32  4480.05  4525.25  4528.05  4544.21
 
 Zero-point correction=                           0.237050 (Hartree/Particle)
 Thermal correction to Energy=                    0.249526
 Thermal correction to Enthalpy=                  0.250471
 Thermal correction to Gibbs Free Energy=         0.198060
 Sum of electronic and zero-point Energies=           -465.874976
 Sum of electronic and thermal Energies=              -465.862500
 Sum of electronic and thermal Enthalpies=            -465.861555
 Sum of electronic and thermal Free Energies=         -465.913966
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.580             46.421            110.307
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.792
 Vibrational            154.803             40.460             38.546
 Vibration     1          0.594              1.983              5.577
 Vibration     2          0.597              1.971              4.316
 Vibration     3          0.600              1.962              3.865
 Vibration     4          0.610              1.929              3.033
 Vibration     5          0.617              1.906              2.708
 Vibration     6          0.622              1.890              2.537
 Vibration     7          0.648              1.809              1.949
 Vibration     8          0.660              1.771              1.765
 Vibration     9          0.675              1.725              1.585
 Vibration    10          0.686              1.692              1.472
 Vibration    11          0.703              1.644              1.334
 Vibration    12          0.728              1.572              1.159
 Vibration    13          0.744              1.530              1.071
 Vibration    14          0.773              1.451              0.931
 Vibration    15          0.813              1.351              0.783
 Vibration    16          0.883              1.188              0.592
 Vibration    17          0.932              1.085              0.494
 Vibration    18          0.943              1.062              0.474
 Vibration    19          0.978              0.993              0.419
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.791857D-91        -91.101353       -209.768618
 Total V=0       0.858544D+18         17.933763         41.294014
 Vib (Bot)       0.897336-105       -105.047045       -241.879760
 Vib (Bot)    1  0.607621D+01          0.783633          1.804381
 Vib (Bot)    2  0.320185D+01          0.505400          1.163727
 Vib (Bot)    3  0.253961D+01          0.404767          0.932010
 Vib (Bot)    4  0.164286D+01          0.215601          0.496439
 Vib (Bot)    5  0.137842D+01          0.139382          0.320939
 Vib (Bot)    6  0.125472D+01          0.098548          0.226914
 Vib (Bot)    7  0.893695D+00         -0.048811         -0.112391
 Vib (Bot)    8  0.797824D+00         -0.098093         -0.225867
 Vib (Bot)    9  0.710284D+00         -0.148568         -0.342091
 Vib (Bot)   10  0.658454D+00         -0.181474         -0.417860
 Vib (Bot)   11  0.597648D+00         -0.223555         -0.514754
 Vib (Bot)   12  0.524235D+00         -0.280474         -0.645816
 Vib (Bot)   13  0.488615D+00         -0.311033         -0.716179
 Vib (Bot)   14  0.433378D+00         -0.363133         -0.836145
 Vib (Bot)   15  0.376187D+00         -0.424597         -0.977670
 Vib (Bot)   16  0.303468D+00         -0.517888         -1.192480
 Vib (Bot)   17  0.266065D+00         -0.575013         -1.324016
 Vib (Bot)   18  0.258483D+00         -0.587569         -1.352927
 Vib (Bot)   19  0.236735D+00         -0.625738         -1.440815
 Vib (V=0)       0.972906D+04          3.988071          9.182873
 Vib (V=0)    1  0.659674D+01          0.819330          1.886576
 Vib (V=0)    2  0.374065D+01          0.572947          1.319259
 Vib (V=0)    3  0.308836D+01          0.489728          1.127641
 Vib (V=0)    4  0.221726D+01          0.345817          0.796274
 Vib (V=0)    5  0.196630D+01          0.293651          0.676156
 Vib (V=0)    6  0.185068D+01          0.267331          0.615551
 Vib (V=0)    7  0.152406D+01          0.183001          0.421375
 Vib (V=0)    8  0.144155D+01          0.158831          0.365722
 Vib (V=0)    9  0.136862D+01          0.136283          0.313804
 Vib (V=0)   10  0.132678D+01          0.122798          0.282753
 Vib (V=0)   11  0.127922D+01          0.106945          0.246250
 Vib (V=0)   12  0.122445D+01          0.087940          0.202489
 Vib (V=0)   13  0.119910D+01          0.078857          0.181574
 Vib (V=0)   14  0.116168D+01          0.065085          0.149865
 Vib (V=0)   15  0.112571D+01          0.051428          0.118416
 Vib (V=0)   16  0.108489D+01          0.035384          0.081476
 Vib (V=0)   17  0.106638D+01          0.027913          0.064273
 Vib (V=0)   18  0.106286D+01          0.026477          0.060965
 Vib (V=0)   19  0.105321D+01          0.022516          0.051844
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.119662D+07          6.077958         13.995015
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000623    0.000001577   -0.000010218
      2        6           0.000000364    0.000005236    0.000014082
      3        6           0.000011646   -0.000017672    0.000000215
      4        6          -0.000006996   -0.000000011   -0.000002841
      5        6           0.000003620    0.000003802    0.000004609
      6        6          -0.000002788   -0.000003071   -0.000004579
      7        8           0.000002972   -0.000002417   -0.000000334
      8        6           0.000000540    0.000000126   -0.000002976
      9        6          -0.000007236   -0.000006732   -0.000008124
     10        6           0.000001202    0.000010782   -0.000001716
     11        6          -0.000003315    0.000010474    0.000007335
     12        1           0.000000874   -0.000000976    0.000001433
     13        1           0.000003202   -0.000001899    0.000001436
     14        1          -0.000002896    0.000002071   -0.000000052
     15        1          -0.000002023    0.000000394    0.000002436
     16        1           0.000001629   -0.000002115    0.000001187
     17        1          -0.000000234    0.000001008   -0.000000339
     18        1          -0.000000196    0.000001281    0.000000155
     19        1           0.000000246    0.000001635    0.000001388
     20        1           0.000000053   -0.000002817    0.000000734
     21        1          -0.000001050   -0.000001172   -0.000001506
     22        1          -0.000000511   -0.000000857   -0.000001081
     23        1          -0.000001053    0.000002077    0.000000629
     24        1          -0.000000859   -0.000000530    0.000000786
     25        1           0.000003208    0.000000888   -0.000002714
     26        1           0.000000098   -0.000002125   -0.000001185
     27        1           0.000000124    0.000001043    0.000001239
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000017672 RMS     0.000004327
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.175843D+03  0.862174D+01 -0.388703D+01
      2   0.862174D+01  0.111304D+03 -0.460051D+01
      3  -0.388703D+01 -0.460051D+01  0.112360D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.719962D+01  0.102526D+02  0.293716D+01
      2   0.216531D+02 -0.165200D+02 -0.205514D+02
      3  -0.318915D+02  0.386390D+02  0.232559D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.923535D+02  0.495848D+02 -0.182493D+02
      2  -0.634189D+02 -0.355604D+02 -0.155038D+02
      3  -0.289345D+02 -0.140244D+02  0.337531D+02
      4   0.432407D+02 -0.864418D+02 -0.548059D+02
      5  -0.115581D+02 -0.574684D+02 -0.402448D+02
      6  -0.322059D+02  0.122902D+01  0.322675D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.362343D+01 -0.332884D+01 -0.516340D+01 -0.409298D+01 -0.244801D+01
      2  -0.332884D+01 -0.233686D+01  0.166064D+00 -0.244801D+01  0.351597D+01
      3  -0.516340D+01  0.166064D+00  0.208628D+01  0.458794D+00 -0.333964D+01
                 6             7             8             9            10 
      1   0.458794D+00 -0.418441D+01  0.568225D+00  0.225074D+01 -0.265931D+02
      2  -0.333964D+01  0.568225D+00 -0.250076D+01 -0.134544D+01  0.544977D+01
      3  -0.103878D+01  0.225074D+01 -0.134544D+01  0.267599D+01  0.595679D+01
                11            12            13            14            15 
      1   0.544977D+01  0.595679D+01  0.823406D+01  0.243169D-01 -0.117679D+01
      2   0.203250D+01 -0.222128D-01  0.243169D-01 -0.831562D+00  0.252749D+01
      3  -0.222128D-01 -0.245849D+01 -0.117679D+01  0.252749D+01  0.191743D+01
                16            17            18            19            20 
      1   0.189530D+02 -0.125669D+01 -0.447827D+01  0.532227D+02  0.184335D+01
      2  -0.125669D+01  0.324255D+01  0.259210D+01  0.184335D+01  0.398201D+01
      3  -0.447827D+01  0.259210D+01 -0.336378D+01 -0.291946D+01  0.164771D+01
                21            22            23            24            25 
      1  -0.291946D+01 -0.351085D+01  0.802083D+01  0.442732D+01 -0.811179D+01
      2   0.164771D+01  0.802083D+01  0.184933D+01  0.702594D+00  0.336513D+01
      3   0.156644D+01  0.442732D+01  0.702594D+00 -0.406728D+01  0.300453D+01
                26            27            28            29            30 
      1   0.336513D+01  0.300453D+01 -0.661768D+02 -0.627911D+01  0.331123D+01
      2   0.360664D+00 -0.343326D+01 -0.627911D+01 -0.335701D+01 -0.381247D+00
      3  -0.343326D+01  0.288684D+01  0.331123D+01 -0.381247D+00 -0.217052D+01
                31            32            33            34            35 
      1  -0.149220D+02 -0.674763D+01 -0.968305D+00  0.822899D+01  0.145944D+00
      2  -0.674763D+01 -0.384146D+01 -0.125753D+01  0.145944D+00 -0.696448D+00
      3  -0.968305D+00 -0.125753D+01  0.214335D+01 -0.446204D+01  0.196843D+01
                36            37            38            39            40 
      1  -0.446204D+01  0.615582D+02  0.863616D+01 -0.479405D+01  0.154727D+02
      2   0.196843D+01  0.863616D+01  0.266242D+01  0.174992D+00  0.530392D+01
      3  -0.150229D+01 -0.479405D+01  0.174992D+00  0.960946D+00  0.203163D+00
                41            42            43            44            45 
      1   0.530392D+01  0.203163D+00 -0.755726D+01  0.446071D-01  0.335311D+01
      2   0.291262D+01  0.983529D+00  0.446071D-01  0.508469D+00 -0.296022D+01
      3   0.983529D+00 -0.323667D+01  0.335311D+01 -0.296022D+01  0.162793D+01
                46            47            48            49            50 
      1  -0.458598D+02 -0.880354D+01  0.503812D+01 -0.131976D+02 -0.298385D+01
      2  -0.880354D+01 -0.182455D+01  0.160400D+01 -0.298385D+01 -0.989865D+00
      3   0.503812D+01  0.160400D+01 -0.843341D+00  0.236056D+01 -0.313036D+00
                51            52            53            54            55 
      1   0.236056D+01  0.642480D+01  0.254123D+01 -0.158388D+01  0.398329D+02
      2  -0.313036D+00  0.254123D+01  0.131339D+00  0.140479D+01  0.723455D+01
      3   0.142853D+01 -0.158388D+01  0.140479D+01 -0.177162D+01 -0.485222D+01
                56            57            58            59            60 
      1   0.723455D+01 -0.485222D+01  0.194083D+02  0.771480D+01 -0.135205D+01
      2   0.284165D+01 -0.124497D+01  0.771480D+01  0.504098D+01 -0.188369D+01
      3  -0.124497D+01  0.249525D+01 -0.135205D+01 -0.188369D+01  0.765589D+00
                61            62            63            64            65 
      1  -0.209616D+02 -0.338908D+01  0.550295D+01  0.856402D+01 -0.512437D+01
      2  -0.338908D+01 -0.141630D+01  0.163368D+01 -0.512437D+01 -0.204598D+01
      3   0.550295D+01  0.163368D+01 -0.386833D+01 -0.317428D+01  0.503311D+00
                66            67            68            69            70 
      1  -0.317428D+01 -0.454906D+01 -0.162019D+01  0.728176D+00 -0.726319D+01
      2   0.503311D+00 -0.162019D+01  0.412228D+00 -0.229719D+01  0.103667D+01
      3   0.210418D+01  0.728176D+00 -0.229719D+01 -0.101769D+01  0.295718D+01
                71            72            73            74            75 
      1   0.103667D+01  0.295718D+01  0.674490D+00  0.100546D+01 -0.544724D+00
      2  -0.247928D+01 -0.234812D+01  0.100546D+01 -0.300766D+01 -0.311093D+01
      3  -0.234812D+01  0.592770D+01 -0.544724D+00 -0.311093D+01  0.228379D+01
                76            77            78            79            80 
      1   0.167684D+01 -0.310943D+01 -0.444708D+01 -0.129517D+01 -0.421117D+01
      2  -0.310943D+01 -0.238773D+01 -0.137680D+01 -0.421117D+01 -0.180119D+01
      3  -0.444708D+01 -0.137680D+01 -0.119591D+01  0.358019D+01 -0.759466D+00
                81            82            83            84            85 
      1   0.358019D+01 -0.102012D+02 -0.704839D+01 -0.229117D+01 -0.907063D+01
      2  -0.759466D+00 -0.704839D+01 -0.274751D+01  0.985031D+00 -0.505254D+01
      3   0.143670D+01 -0.229117D+01  0.985031D+00 -0.339035D-01  0.201094D+00
                86            87            88            89            90 
      1  -0.505254D+01  0.201094D+00  0.540789D+01  0.216153D+01  0.546130D-01
      2   0.876308D+00  0.687166D-01  0.216153D+01  0.102770D+01  0.497916D+01
      3   0.687166D-01  0.367655D+01  0.546130D-01  0.497916D+01  0.214256D+01
                91            92            93            94            95 
      1  -0.955894D+01 -0.736255D+00 -0.285085D+01 -0.222833D+01  0.136597D+01
      2  -0.736255D+00  0.235021D+01 -0.310639D+00  0.136597D+01  0.445716D+01
      3  -0.285085D+01 -0.310639D+00  0.308153D+01 -0.811687D+00 -0.104981D+00
                96            97            98            99           100 
      1  -0.811687D+00 -0.971777D+00 -0.712779D+00  0.292972D+01 -0.518838D+01
      2  -0.104981D+00 -0.712779D+00  0.600667D+00 -0.218515D+01  0.211131D+00
      3  -0.252777D+01  0.292972D+01 -0.218515D+01 -0.405024D+00 -0.264354D+01
               101           102           103           104           105 
      1   0.211131D+00 -0.264354D+01  0.157615D+01 -0.838582D+00  0.130699D+01
      2  -0.636436D+00  0.431279D+00 -0.838582D+00  0.924199D+00 -0.647050D+00
      3   0.431279D+00 -0.235947D+01  0.130699D+01 -0.647050D+00  0.124865D+01
               106           107           108           109           110 
      1  -0.422768D+01  0.816968D+00 -0.377829D+01 -0.714464D+01 -0.243150D+01
      2   0.816968D+00 -0.124994D+01  0.307573D+00 -0.243150D+01 -0.138538D+01
      3  -0.377829D+01  0.307573D+00 -0.454280D+01  0.217288D+01  0.101066D+01
               111           112           113           114           115 
      1   0.217288D+01 -0.250932D+01 -0.202019D+01  0.128012D+01  0.493208D+01
      2   0.101066D+01 -0.202019D+01 -0.186514D+01  0.988979D+00  0.202081D+01
      3  -0.181272D+01  0.128012D+01  0.988979D+00 -0.807279D+00 -0.316782D+01
               116           117           118           119           120 
      1   0.202081D+01 -0.316782D+01  0.103201D+00  0.604828D+00 -0.715545D+00
      2   0.177961D+01 -0.102463D+01  0.604828D+00 -0.257614D+00 -0.258249D+00
      3  -0.102463D+01  0.248346D+01 -0.715545D+00 -0.258249D+00 -0.130863D-01
               121           122           123           124           125 
      1   0.206121D+01 -0.631357D+00 -0.633617D-01 -0.727041D+00  0.604784D-01
      2  -0.631357D+00  0.131120D+01 -0.137591D+01  0.604784D-01 -0.177612D+01
      3  -0.633617D-01 -0.137591D+01  0.221928D+01 -0.596316D+00  0.161076D+01
               126           127           128           129           130 
      1  -0.596316D+00  0.109513D+01 -0.320316D+00  0.686001D+00  0.102547D+00
      2   0.161076D+01 -0.320316D+00  0.163368D+01 -0.498308D+00  0.700436D+00
      3  -0.603401D+01  0.686001D+00 -0.498308D+00  0.533067D+00 -0.323823D+00
               131           132           133           134           135 
      1   0.700436D+00 -0.323823D+00  0.125447D+01 -0.359626D+00  0.144226D+00
      2  -0.541935D+01  0.165554D+01 -0.359626D+00  0.340153D+01 -0.225922D+01
      3   0.165554D+01 -0.174520D+01  0.144226D+00 -0.225922D+01  0.209034D+01
               136           137           138           139           140 
      1   0.143945D+01 -0.215785D+00 -0.729703D+00  0.183392D+01 -0.401101D+00
      2  -0.215785D+00  0.245561D+00 -0.125877D+00 -0.401101D+00 -0.446318D+01
      3  -0.729703D+00 -0.125877D+00 -0.540832D-01 -0.583472D+00 -0.292629D+01
               141           142           143           144           145 
      1  -0.583472D+00 -0.250679D+01 -0.144192D+01 -0.113949D+01  0.526835D+00
      2  -0.292629D+01 -0.144192D+01 -0.475706D+01 -0.485208D+01 -0.594721D+00
      3  -0.280963D+01 -0.113949D+01 -0.485208D+01 -0.626526D+01  0.904125D+00
               146           147           148           149           150 
      1  -0.594721D+00  0.904125D+00 -0.720226D+00  0.912579D+00 -0.155288D+00
      2   0.914222D+00 -0.328901D+00  0.912579D+00 -0.545156D+01  0.240887D+01
      3  -0.328901D+00  0.363922D+00 -0.155288D+00  0.240887D+01 -0.293862D+01
               151           152           153           154           155 
      1   0.588004D+00 -0.218173D+00  0.758498D-01 -0.650556D+01  0.160032D+01
      2  -0.218173D+00  0.167005D+01 -0.150786D+01  0.160032D+01 -0.112838D+01
      3   0.758498D-01 -0.150786D+01  0.147816D+01  0.430034D+01 -0.959969D+00
               156           157           158           159           160 
      1   0.430034D+01  0.146577D+01 -0.103322D+01 -0.988508D+00  0.212250D+01
      2  -0.959969D+00 -0.103322D+01  0.749301D+00  0.142801D+01 -0.738200D+00
      3  -0.433680D+01 -0.988508D+00  0.142801D+01  0.152719D+01 -0.293710D+01
               161           162           163           164           165 
      1  -0.738200D+00 -0.293710D+01  0.365523D+01  0.172432D+01  0.167054D+01
      2   0.841861D+00  0.998931D+00  0.172432D+01  0.195565D+01  0.112751D+01
      3   0.998931D+00  0.367891D+01  0.167054D+01  0.112751D+01  0.237986D+01
               166           167           168           169           170 
      1   0.166736D+01  0.146213D+01  0.811768D+00  0.571866D+00  0.536167D+00
      2   0.146213D+01  0.218711D+01  0.177668D+01  0.536167D+00  0.966116D+00
      3   0.811768D+00  0.177668D+01  0.220453D+01  0.103379D+01  0.111902D+01
               171           172           173           174           175 
      1   0.103379D+01 -0.159492D+01  0.101808D+01 -0.896668D+00  0.554934D+00
      2   0.111902D+01  0.101808D+01 -0.184727D+00  0.286852D+00 -0.117342D+00
      3   0.178238D+01 -0.896668D+00  0.286852D+00 -0.120128D+01  0.230401D+00
               176           177           178           179           180 
      1  -0.117342D+00  0.230401D+00 -0.140641D+01  0.887475D+00 -0.214332D+01
      2   0.519245D+00 -0.958895D+00  0.887475D+00 -0.224590D+01  0.216827D+01
      3  -0.958895D+00  0.665248D+00 -0.214332D+01  0.216827D+01 -0.736793D+01
               181           182           183           184           185 
      1   0.220565D+01  0.204595D+01  0.766512D+00  0.152887D+01  0.166668D+01
      2   0.204595D+01  0.428899D+01  0.445217D+00  0.166668D+01  0.515317D+01
      3   0.766512D+00  0.445217D+00  0.834625D+00  0.261392D+00  0.820529D+00
               186           187           188           189           190 
      1   0.261392D+00  0.101136D+01  0.139069D+00  0.215761D+00 -0.790404D+01
      2   0.820529D+00  0.139069D+00  0.160266D+01  0.119816D+01  0.425255D+01
      3   0.844670D+00  0.215761D+00  0.119816D+01  0.191362D+00  0.222887D+01
               191           192           193           194           195 
      1   0.425255D+01  0.222887D+01  0.950152D+00 -0.217726D+01 -0.809848D+00
      2  -0.291226D+01 -0.950201D+00 -0.217726D+01  0.232208D+01  0.101420D+01
      3  -0.950201D+00 -0.180463D+01 -0.809848D+00  0.101420D+01  0.632444D+00
               196           197           198           199           200 
      1   0.405554D+01 -0.196205D+01 -0.221480D+01 -0.147106D+01 -0.960884D+00
      2  -0.196205D+01  0.225917D+01  0.138695D+01 -0.960884D+00 -0.240006D-01
      3  -0.221480D+01  0.138695D+01  0.133474D+01  0.113885D+01 -0.223660D+00
               201           202           203           204           205 
      1   0.113885D+01 -0.170693D+01  0.941297D+00  0.381502D+00  0.151815D+01
      2  -0.223660D+00  0.941297D+00 -0.127396D+01  0.146872D+01  0.451757D+00
      3   0.357206D+00  0.381502D+00  0.146872D+01 -0.188460D+01  0.517419D+00
               206           207           208           209           210 
      1   0.451757D+00  0.517419D+00  0.822394D+00  0.653804D+00 -0.851358D+00
      2   0.171374D+01 -0.179989D+01  0.653804D+00  0.610847D-01  0.275862D-01
      3  -0.179989D+01  0.379369D+01 -0.851358D+00  0.275862D-01 -0.107169D+00
               211           212           213           214           215 
      1   0.120015D+01 -0.120078D-01 -0.407913D+00 -0.157420D+01 -0.305546D+00
      2  -0.120078D-01  0.197003D+01 -0.198175D+01 -0.305546D+00 -0.209990D+01
      3  -0.407913D+00 -0.198175D+01  0.286912D+01  0.129165D+00  0.259477D+01
               216           217           218           219           220 
      1   0.129165D+00  0.107523D+01 -0.627018D+00  0.833738D-01 -0.242708D+01
      2   0.259477D+01 -0.627018D+00 -0.121657D+01  0.297008D+00  0.519482D+00
      3  -0.591090D+01  0.833738D-01  0.297008D+00 -0.936807D+00 -0.741155D+00
               221           222           223           224           225 
      1   0.519482D+00 -0.741155D+00  0.799005D+00  0.200967D+00 -0.972751D-01
      2  -0.771765D+01  0.101017D+01  0.200967D+00 -0.398984D+00 -0.652439D+00
      3   0.101017D+01 -0.152603D+01 -0.972751D-01 -0.652439D+00  0.374096D+00
               226           227           228           229           230 
      1  -0.369391D+00  0.754693D+00  0.105170D+01  0.749429D+00 -0.409894D+00
      2   0.754693D+00 -0.100611D+01 -0.132737D+00 -0.409894D+00  0.425415D+00
      3   0.105170D+01 -0.132737D+00 -0.286741D+01 -0.901528D-01  0.122778D+01
               231           232           233           234           235 
      1  -0.901528D-01  0.296231D+01 -0.394999D+00 -0.536462D+00  0.101690D+02
      2   0.122778D+01 -0.394999D+00  0.115772D+01  0.988441D+00 -0.564235D+00
      3   0.216967D+01 -0.536462D+00  0.988441D+00  0.590064D+01  0.311762D+01
               236           237           238           239           240 
      1  -0.564235D+00  0.311762D+01  0.452537D+00  0.970158D+00  0.268152D+00
      2   0.110306D+01 -0.159324D+00  0.970158D+00 -0.384894D+00  0.380972D+00
      3  -0.159324D+00  0.195263D+01  0.268152D+00  0.380972D+00  0.483202D+00
               241           242           243 
      1   0.195740D+01  0.132047D-01  0.138582D+01
      2   0.132047D-01  0.158059D+00  0.176746D+00
      3   0.138582D+01  0.176746D+00  0.122643D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.598063D+01 -0.567777D+01  0.247491D-01 -0.506717D+01  0.102874D+02
      2   0.948934D+01  0.761787D+01  0.103440D+02  0.678877D+01  0.127917D+02
      3  -0.708447D+01 -0.790934D+01 -0.150747D+01 -0.402187D+01  0.527932D+01
                 6             7             8             9            10 
      1  -0.112663D+02 -0.110856D+01 -0.421696D+01 -0.244815D+01  0.204292D+01
      2   0.108485D+01  0.137794D+01  0.237598D+01 -0.846760D+01 -0.249549D+02
      3  -0.585188D+01 -0.456990D+00 -0.484322D+01 -0.191088D+01  0.149100D+02
                11            12            13            14            15 
      1   0.237469D+01  0.154819D+01  0.151112D+01 -0.439477D+01 -0.489643D+01
      2  -0.128147D+01  0.882569D+01 -0.116960D+01 -0.958746D+01 -0.563785D+01
      3   0.416133D+01  0.408166D+01  0.147825D+02  0.331203D+01  0.654314D+01
                16            17            18            19            20 
      1   0.413503D+00  0.571944D+01  0.400779D+01 -0.279655D+01 -0.419040D+00
      2   0.119958D+02 -0.599077D+01  0.762931D+01  0.326036D+02  0.245599D+01
      3  -0.150788D+01  0.680984D+01  0.434107D+01 -0.191988D+02 -0.578269D+01
                21            22            23            24            25 
      1  -0.852606D+00  0.151194D+01 -0.113972D+01 -0.458086D+01 -0.117279D+00
      2   0.127403D+01  0.107752D+01  0.640015D+01  0.703126D+01 -0.176815D+02
      3   0.530800D-01  0.401280D+01 -0.543633D+01 -0.111029D+01 -0.116529D+01
                26            27            28            29            30 
      1   0.270912D+00  0.426945D+01  0.764968D+01 -0.134761D+01 -0.957988D+00
      2   0.512183D+01 -0.113920D-01 -0.347421D+02 -0.523160D+01 -0.244022D+01
      3  -0.282157D+01 -0.331141D+01  0.155690D+02  0.578747D+01  0.486458D+00
                31            32            33            34            35 
      1  -0.569105D+01  0.398866D+00 -0.214051D+01 -0.369314D+01  0.324255D+01
      2  -0.168063D+02 -0.457453D+01 -0.477329D+00 -0.239502D+02 -0.329183D+01
      3   0.355976D+02  0.873936D+01 -0.142523D+01  0.392857D+01  0.142306D+01
                36            37            38            39            40 
      1  -0.382912D+01 -0.784013D+01  0.264380D+01  0.192062D+01  0.766031D+01
      2   0.193362D+00  0.254160D+02  0.587856D+01  0.490344D+01  0.163156D+02
      3   0.711254D+00 -0.224512D+02 -0.109601D+02 -0.291229D+00 -0.924141D+00
                41            42            43            44            45 
      1   0.689940D+00 -0.789154D+00  0.106229D+02  0.178808D+01  0.520468D+00
      2   0.618235D+01 -0.574477D+01 -0.114444D+02 -0.685893D+01  0.990335D+01
      3  -0.183926D+01 -0.395135D+01 -0.325220D+01 -0.556557D+01  0.411101D+01
                46            47            48            49            50 
      1   0.647503D+01 -0.100574D+02 -0.254160D+01 -0.283049D+01  0.836474D+01
      2  -0.892738D+01 -0.689572D+01 -0.976037D+01 -0.599988D+01 -0.855682D+00
      3   0.158674D+02  0.173194D+02  0.920711D+00  0.246839D+02  0.627780D+01
                51            52            53            54            55 
      1  -0.113187D+02 -0.281944D+00  0.180692D+00 -0.116030D+02 -0.398043D+01
      2  -0.194327D+01 -0.167096D+02  0.199772D+01 -0.659498D+01  0.101367D+02
      3   0.341568D+01  0.121752D+01 -0.501301D+00 -0.184450D+01 -0.124336D+02
                56            57            58            59            60 
      1   0.281869D+01 -0.295237D+00 -0.416659D+01 -0.320019D+01 -0.572424D+00
      2   0.168568D+01  0.177369D+02  0.786455D+01 -0.155426D+01  0.788988D+01
      3  -0.198628D+02  0.203715D+01 -0.151014D+02 -0.173026D+02  0.383191D+01
                61            62            63            64            65 
      1   0.200768D+00  0.266195D+01  0.347490D+01  0.707555D+01 -0.120485D+01
      2   0.690715D+00  0.231611D+01 -0.120911D+02  0.109189D+02 -0.226906D+01
      3   0.483311D+01  0.878345D+01 -0.387267D+01 -0.944566D+01 -0.208255D+02
                66            67            68            69            70 
      1  -0.546662D+01 -0.218668D+00  0.570733D+01  0.215090D+01 -0.871642D+01
      2  -0.377836D+01 -0.196488D+01  0.558742D+01  0.310323D+01 -0.122466D+02
      3  -0.554915D+01 -0.963544D+01 -0.547740D+01 -0.537103D+01 -0.225139D+01
                71            72            73            74            75 
      1   0.908220D+01 -0.137635D+02 -0.420537D+00 -0.264892D+01  0.335656D+01
      2   0.640137D+01 -0.146570D+02  0.220408D+01  0.134015D+02 -0.621056D+01
      3  -0.482130D+01 -0.426249D+00  0.589680D+01 -0.171253D+02 -0.136280D+02
                76            77            78            79            80 
      1  -0.304611D+01 -0.504653D+00 -0.273497D+01  0.544821D+01  0.151084D+01
      2   0.171211D+02  0.427944D+01  0.185538D+01 -0.186381D+02 -0.108051D+01
      3  -0.872196D+01 -0.442997D+01 -0.184071D+01 -0.158556D+02 -0.115079D+01
                81            82            83            84            85 
      1   0.156761D+01 -0.995438D+00  0.499094D+01 -0.143844D+01  0.442440D+01
      2  -0.354743D+01 -0.416306D+01 -0.861814D+01 -0.119039D+00 -0.128546D+02
      3  -0.548607D+01 -0.703891D+01  0.503088D+01  0.533429D+01  0.157548D+02
                86            87            88            89            90 
      1  -0.995543D+00  0.678243D+01 -0.116149D+01  0.158842D+02  0.111400D+01
      2  -0.497412D+01 -0.553090D+01 -0.230283D+01 -0.620113D+01 -0.292676D+01
      3   0.910604D+01 -0.236411D+01  0.720477D+01 -0.251559D+01  0.901772D+01
                91            92            93            94            95 
      1  -0.199166D+01  0.560564D+01  0.433160D+01 -0.424290D+01  0.838202D+01
      2  -0.291003D+01 -0.346914D+00  0.193514D+02 -0.170914D+01 -0.427552D+01
      3   0.672819D+01 -0.108054D+02  0.323335D+01  0.625489D+00 -0.175901D+02
                96            97            98            99           100 
      1  -0.825577D+01 -0.185773D+01  0.429962D+01 -0.498304D+01 -0.215899D+01
      2  -0.109634D+02  0.751131D+01 -0.755826D+01 -0.647885D+01  0.534211D+01
      3   0.129058D+01  0.261141D+01 -0.375667D+01  0.520199D+01  0.494597D+01
               101           102           103           104           105 
      1   0.156850D+01 -0.197113D+01  0.104013D+01 -0.167411D+01  0.426989D+00
      2  -0.186931D+01  0.847100D+01 -0.373200D+01  0.171560D+01 -0.397138D+01
      3  -0.375548D+01  0.396108D+01 -0.191109D+01  0.479722D+01 -0.303360D+01
               106           107           108           109           110 
      1  -0.341700D+01  0.319506D+01 -0.357927D+01  0.268972D+01  0.485102D+00
      2   0.822432D+01 -0.987306D+00  0.141704D+02 -0.915198D+01 -0.418886D+01
      3   0.650751D+01 -0.609098D+01  0.435730D+01 -0.525276D+00 -0.491051D+01
               111           112           113           114           115 
      1  -0.270650D+01  0.202981D+01  0.859035D+00 -0.220760D+01 -0.305159D+01
      2   0.937889D+01 -0.543868D+01 -0.413118D+01  0.402491D+01  0.102170D+02
      3   0.135431D+01 -0.184842D+01 -0.484419D+01  0.206531D+01  0.258471D+01
               116           117           118           119           120 
      1   0.362426D+00  0.337530D+01 -0.335666D+00  0.760679D-02  0.117079D+00
      2   0.366393D+01 -0.111556D+02  0.240185D+01  0.559881D+00  0.604495D+00
      3   0.573677D+01 -0.459886D+00  0.892067D+00 -0.936062D+00  0.323615D+00
               121           122           123           124           125 
      1  -0.201755D+01 -0.266793D+01  0.695975D+00 -0.120793D+01  0.442818D+01
      2   0.163192D+01  0.569197D+00 -0.264317D+01 -0.360054D+01 -0.159877D+01
      3   0.173006D+01  0.921587D+00 -0.119677D+01  0.170203D+00 -0.163778D+01
               126           127           128           129           130 
      1  -0.272139D+01  0.244338D+01 -0.206182D+01  0.237922D+01 -0.164663D+01
      2   0.543515D+01 -0.583553D+00  0.840852D+00  0.544497D+00  0.136032D+01
      3   0.205791D+01 -0.323977D+01  0.222344D+01 -0.277551D+01  0.394310D+01
               131           132           133           134           135 
      1   0.728754D+01 -0.729238D+01  0.920960D+00 -0.617140D+01  0.865462D+01
      2  -0.200831D+01  0.235061D+01 -0.726320D+00  0.334452D+01 -0.299388D+01
      3  -0.110361D+02  0.397970D+01 -0.467579D+01  0.694908D+01 -0.512663D+01
               136           137           138           139           140 
      1  -0.104431D+01 -0.641918D+00  0.893151D-01 -0.503870D+00 -0.666328D+00
      2   0.206741D+01  0.133590D+00  0.369518D+00  0.610266D+00  0.467841D+01
      3  -0.117048D+01 -0.155611D+00  0.957610D+00  0.122361D+01 -0.774956D+01
               141           142           143           144           145 
      1  -0.508772D+01 -0.115881D+00 -0.313499D+01 -0.974565D+01 -0.157497D+01
      2   0.468016D+01 -0.262783D+01  0.716535D+01  0.996974D+01 -0.437830D+01
      3  -0.438697D+01  0.207251D+01 -0.684882D+01 -0.766505D+01 -0.156234D+01
               146           147           148           149           150 
      1   0.292426D+01 -0.263898D+00  0.266390D+01 -0.147919D+02  0.225971D+01
      2   0.225582D+01 -0.141842D+01  0.405739D+01 -0.750968D+01  0.582578D+01
      3   0.101097D+01 -0.321659D+00  0.397616D+01 -0.887571D+01  0.392020D+01
               151           152           153           154           155 
      1  -0.312979D+00  0.472892D+01 -0.302426D+01  0.194227D+01 -0.330251D+01
      2  -0.256759D+01  0.354747D+01 -0.282826D+01  0.447617D+01 -0.132619D+01
      3  -0.673686D+00  0.258933D+01 -0.258208D+01  0.133841D+01 -0.379164D+01
               156           157           158           159           160 
      1   0.126340D+00 -0.156641D+01  0.114737D+01  0.947783D+00 -0.879658D+00
      2   0.345268D+01 -0.201526D+01 -0.128892D+01 -0.179673D+01 -0.322759D+01
      3  -0.688509D+00 -0.765177D+00  0.161278D+01  0.246281D+01 -0.655131D-01
               161           162           163           164           165 
      1   0.320781D+01  0.353910D+00  0.304890D+01  0.485212D+01  0.293948D+00
      2  -0.329832D+00 -0.195962D+01 -0.149818D+02 -0.663278D+01 -0.671278D+01
      3   0.232880D+01  0.101076D+01  0.668782D+01  0.279043D+01  0.286475D+01
               166           167           168           169           170 
      1   0.289163D+01  0.407967D+01  0.642175D+00  0.794315D+00  0.299675D+01
      2  -0.726203D+01 -0.734526D+01 -0.525328D+01 -0.573786D+01 -0.362505D+01
      3   0.548880D+01  0.373710D+01  0.374435D+01  0.154575D+01  0.130556D+01
               171           172           173           174           175 
      1   0.140793D+01  0.170011D+01 -0.291691D+00  0.287196D+01 -0.840403D+00
      2  -0.547496D+01  0.160182D+01 -0.617258D+00  0.349551D+01 -0.355333D+00
      3   0.284280D+01  0.691066D+00  0.317467D+00 -0.873553D+00  0.124414D+01
               176           177           178           179           180 
      1   0.196202D+01 -0.238432D+01  0.418370D+01 -0.403609D+00  0.168270D+02
      2   0.224526D+01 -0.158710D+01  0.200239D+01 -0.473853D+01  0.180179D+02
      3   0.102092D+01 -0.183780D+01 -0.152490D+01 -0.489663D+01  0.229493D+01
               181           182           183           184           185 
      1  -0.199172D+01 -0.876330D+00 -0.332350D+01 -0.109353D+01 -0.230315D+01
      2  -0.161154D+01 -0.724969D+00 -0.279416D+00 -0.269833D+00 -0.157310D+01
      3   0.147687D+02  0.145280D+02  0.320827D+01  0.103713D+02  0.175639D+02
               186           187           188           189           190 
      1  -0.401493D+01 -0.830389D+00 -0.119583D+01 -0.648009D+00 -0.512693D+01
      2  -0.105920D+01 -0.134169D+01 -0.250367D+01 -0.246454D+00 -0.612203D+01
      3   0.305030D+01  0.278026D+01  0.447202D+01  0.375723D+01 -0.373300D+01
               191           192           193           194           195 
      1   0.174935D+01  0.541042D+01  0.254640D+01 -0.235206D+01 -0.292431D+01
      2   0.292699D+01  0.753016D+01  0.161111D+01 -0.301354D+01 -0.272207D+01
      3  -0.257118D+01  0.216346D+01  0.199320D+01  0.270458D+01  0.870577D+00
               196           197           198           199           200 
      1   0.435627D+01 -0.133103D+01 -0.327128D+01 -0.235631D-01  0.393966D+00
      2   0.520760D+01 -0.345989D+01 -0.448810D+01 -0.581083D+00 -0.475816D+00
      3   0.136050D+01  0.378225D+01 -0.369092D+00  0.102983D+01  0.458842D+00
               201           202           203           204           205 
      1   0.286200D+00  0.457773D+01  0.793788D+00 -0.286276D+01  0.251577D+01
      2  -0.989319D-01  0.158920D+01  0.141604D+01 -0.761828D+00 -0.239021D+01
      3  -0.812039D+00  0.269164D+01  0.596120D-01 -0.265959D+00 -0.234424D+01
               206           207           208           209           210 
      1   0.118598D+01  0.355537D+01 -0.923536D+00  0.526646D+00  0.141818D-01
      2   0.208176D+00  0.250320D+01 -0.977480D+00  0.208646D+00  0.388840D+00
      3  -0.855993D+00  0.528779D+00 -0.180389D+01 -0.581787D+00  0.272567D+00
               211           212           213           214           215 
      1   0.166300D+01 -0.198512D+01 -0.220099D+00  0.747904D+00  0.367121D+01
      2   0.333119D+00 -0.408659D+01  0.522488D+01 -0.363269D+01  0.464865D+01
      3   0.328374D+01 -0.373090D+01  0.421463D+01  0.630638D+00  0.436178D+01
               216           217           218           219           220 
      1   0.668647D+00  0.332082D+00 -0.242253D+01  0.148650D+00  0.100976D+01
      2  -0.106362D+02  0.697672D+00  0.234605D+01 -0.255879D+01  0.745390D-01
      3  -0.530122D+01  0.216395D+01  0.468813D+01 -0.120053D+01  0.859862D+00
               221           222           223           224           225 
      1  -0.126456D+02 -0.352002D-01  0.204347D+01 -0.880292D+00 -0.512008D+00
      2   0.448738D+01 -0.389755D+01  0.112979D+00 -0.215394D+01  0.231630D+01
      3   0.274983D+02 -0.340624D+01 -0.185241D+01  0.173074D+01  0.238377D+01
               226           227           228           229           230 
      1   0.331530D+00 -0.178363D+01 -0.412029D+01  0.756823D+00  0.194162D+01
      2   0.623384D+01 -0.183932D+01 -0.128842D+02 -0.152726D+01  0.584949D+01
      3  -0.154047D+01  0.189268D+01 -0.304744D-01  0.715874D+00 -0.822357D+00
               231           232           233           234           235 
      1   0.376798D+01 -0.187096D+01  0.338373D+01  0.711206D+01  0.145388D+01
      2   0.907359D+01 -0.654218D+01  0.428023D+01  0.236351D+02 -0.144867D+01
      3  -0.438153D+01  0.745310D-01 -0.303774D+01 -0.273962D+01 -0.457301D+01
               236           237           238           239           240 
      1   0.179473D+01  0.101879D+01  0.588764D+00 -0.280002D+00 -0.271072D+00
      2  -0.294278D+00  0.577165D+01  0.669481D+00  0.575697D+00  0.184525D+01
      3  -0.588685D+01 -0.127261D+01 -0.213053D+01  0.814066D+00 -0.909713D+00
               241           242           243 
      1   0.686767D+00  0.118483D+01  0.917993D+00
      2   0.109182D+00  0.997001D+00  0.272830D+01
      3  -0.189609D+01 -0.928731D+00 -0.152116D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.446315D+01  0.134124D+02  0.188864D+02  0.118066D+02  0.153040D+02
      2   0.774314D+01 -0.100048D+02 -0.175789D+02 -0.952428D+01  0.147414D+01
      3  -0.122063D+02 -0.340764D+01 -0.130755D+01 -0.228229D+01 -0.167781D+02
      4   0.136938D+02  0.328321D+01 -0.703788D+01  0.543677D+01 -0.155650D+02
      5   0.268383D+02 -0.129634D+02 -0.265011D+02 -0.143099D+02  0.512174D+01
      6  -0.150273D+02 -0.842387D+01  0.252552D+01 -0.697331D+01  0.104491D+02
                 6             7             8             9            10 
      1   0.482630D+00  0.133772D+02 -0.136373D-01 -0.164336D+02 -0.282573D+02
      2   0.313471D+01 -0.127456D+02  0.201121D+01 -0.162127D+01  0.229213D+02
      3  -0.361734D+01 -0.631583D+00 -0.199757D+01  0.180548D+02  0.533603D+01
      4   0.109424D+02 -0.751370D+01  0.846107D+01  0.711761D+01 -0.396075D+02
      5   0.477293D+01 -0.251656D+02  0.630881D+01 -0.227466D+01 -0.128556D+02
      6  -0.127698D+02  0.352180D+01 -0.111482D+02 -0.112658D+01  0.126051D+02
                11            12            13            14            15 
      1  -0.196797D+02 -0.858432D+01 -0.276470D+02 -0.254772D+02 -0.109965D+02
      2   0.149734D+02  0.597023D+01  0.198109D+02  0.360743D+01  0.612486D+01
      3   0.470629D+01  0.261409D+01  0.783613D+01  0.218697D+02  0.487160D+01
      4  -0.175301D+01  0.394567D+01 -0.496977D+01  0.280788D+01 -0.132645D+02
      5   0.991491D+00  0.132316D+02  0.272988D+01 -0.887075D+01 -0.602311D+01
      6  -0.216810D+01 -0.255766D+01  0.144694D+01  0.846821D+01  0.651536D+01
                16            17            18            19            20 
      1   0.234713D+01 -0.972723D+01  0.102941D+02  0.799053D+02  0.124898D+02
      2  -0.720942D+01  0.908664D+01  0.901465D+00 -0.645430D+02 -0.121172D+02
      3   0.486228D+01  0.640593D+00 -0.111956D+02 -0.153623D+02 -0.372536D+00
      4   0.998216D+01 -0.175779D+02 -0.134258D+02  0.219381D+02 -0.142561D+02
      5   0.139044D+02 -0.972496D+01  0.153833D+02 -0.195184D+02 -0.833797D+01
      6  -0.808731D+01  0.565515D+01 -0.635721D+01 -0.283352D+02 -0.620622D+01
                21            22            23            24            25 
      1   0.217962D+01  0.120369D+02  0.118509D+02 -0.898758D+00  0.116911D+01
      2  -0.317913D+01 -0.147575D+02 -0.812253D+01 -0.703751D+01  0.292263D+01
      3   0.999510D+00  0.272064D+01 -0.372836D+01  0.793626D+01 -0.409175D+01
      4  -0.808004D+01 -0.276414D+02 -0.594273D+01  0.224823D+01 -0.148596D+02
      5  -0.167277D+01 -0.133854D+02 -0.498996D+01  0.730915D+01 -0.689601D+01
      6  -0.167625D+01 -0.101220D+02 -0.643477D+01 -0.264065D+01  0.710304D-01
                26            27            28            29            30 
      1  -0.128080D+01  0.636109D+01 -0.144021D+03 -0.134598D+02  0.359511D+01
      2  -0.830697D+01  0.730696D+01  0.925268D+02  0.800231D+01 -0.325035D+01
      3   0.958777D+01 -0.136681D+02  0.514941D+02  0.545750D+01 -0.344758D+00
      4   0.527239D+01  0.917783D+01 -0.217689D+02 -0.818343D+01  0.122236D+01
      5   0.537562D+01 -0.431995D+01  0.341510D+02  0.310973D+01 -0.112976D+02
      6  -0.885913D+00  0.747449D+01  0.289849D+02  0.556922D+01  0.452404D+00
                31            32            33            34            35 
      1  -0.431075D+02 -0.276721D+02 -0.633492D+01  0.269835D+02 -0.332028D+01
      2   0.302224D+02  0.212252D+02  0.433606D+01 -0.141710D+02  0.581550D+01
      3   0.128851D+02  0.644686D+01  0.199886D+01 -0.128126D+02 -0.249522D+01
      4  -0.176579D+02 -0.117911D+02 -0.337088D+01  0.297091D+01 -0.419242D+01
      5   0.682053D+01  0.198465D+01 -0.211478D+00 -0.958909D+01  0.153862D+01
      6   0.790602D+01  0.102475D+02  0.425689D+01 -0.182392D+00  0.226334D+01
                36            37            38            39            40 
      1  -0.132851D+02  0.189940D+03  0.320156D+02 -0.150813D+02  0.384617D+02
      2   0.212952D+01 -0.110387D+03 -0.187388D+02  0.948078D+01 -0.189861D+02
      3   0.111556D+02 -0.795533D+02 -0.132768D+02  0.560056D+01 -0.194756D+02
      4   0.676672D+00  0.410476D+02  0.174381D+02  0.870917D-01  0.319345D+02
      5  -0.476182D+00 -0.497972D+02 -0.409308D+01  0.119415D+02 -0.146270D+01
      6   0.471957D+01 -0.267039D+02 -0.527956D+01  0.141851D+00 -0.102994D+02
                41            42            43            44            45 
      1   0.101672D+02 -0.103320D+02 -0.837758D+01 -0.981742D+01  0.114444D+02
      2   0.655893D+00 -0.179355D+01  0.114717D+02  0.384882D+01 -0.514574D+01
      3  -0.108231D+02  0.121255D+02 -0.309411D+01  0.596860D+01 -0.629870D+01
      4   0.658137D+01  0.128011D+01  0.925455D+01  0.746223D+01 -0.998947D+01
      5   0.184704D+01 -0.131711D+02  0.179298D+02 -0.874903D+01  0.782717D+01
      6   0.783187D-01  0.380271D+00  0.139223D+01 -0.311812D+00  0.103785D+02
                46            47            48            49            50 
      1  -0.179321D+03 -0.367633D+02  0.310651D+02 -0.682345D+02 -0.210222D+02
      2   0.941875D+02  0.165410D+02 -0.159063D+02  0.350937D+02  0.115542D+02
      3   0.851336D+02  0.202223D+02 -0.151589D+02  0.331408D+02  0.946794D+01
      4  -0.652316D+02 -0.323623D+02  0.105425D+02 -0.182268D+02 -0.105418D+02
      5   0.654479D+02  0.146743D+02 -0.259764D+02  0.299792D+02  0.362219D+00
      6   0.227083D+02  0.284001D+01 -0.545313D+01  0.601396D+00  0.685982D+01
                51            52            53            54            55 
      1   0.120868D+02  0.458190D+02  0.136681D+02 -0.142688D+02  0.198673D+03
      2  -0.101894D+02 -0.179731D+02 -0.809380D+00  0.109982D+02 -0.101927D+03
      3  -0.189733D+01 -0.278460D+02 -0.128587D+02  0.327065D+01 -0.967468D+02
      4  -0.118899D+01  0.243327D+02 -0.226571D+01  0.639945D+01  0.587355D+02
      5   0.522746D+01 -0.162988D+02  0.735673D+01 -0.126879D+02 -0.629069D+02
      6   0.105965D+01  0.388978D+01 -0.246334D+01  0.498687D+01 -0.132286D+02
                56            57            58            59            60 
      1   0.374978D+02 -0.323875D+02  0.803644D+02  0.325124D+02 -0.510160D+01
      2  -0.142385D+02  0.208939D+02 -0.351461D+02 -0.516211D+01  0.111829D+01
      3  -0.232592D+02  0.114936D+02 -0.452183D+02 -0.273503D+02  0.398330D+01
      4   0.385506D+02 -0.105577D+02  0.635554D+02  0.427828D+02 -0.151673D+02
      5  -0.128382D+02  0.369617D+02 -0.219956D+02 -0.172504D+02  0.108391D+02
      6  -0.559098D+01  0.537428D+01 -0.125202D+02 -0.883768D+01  0.899971D+01
                61            62            63            64            65 
      1  -0.901536D+02 -0.125988D+02  0.255737D+02 -0.107959D+01  0.340947D+02
      2   0.530633D+02  0.537471D+01 -0.229401D+02 -0.155877D+02 -0.277993D+02
      3   0.370904D+02  0.722412D+01 -0.263358D+01  0.166673D+02 -0.629539D+01
      4  -0.256129D+02 -0.133174D+02  0.130548D+02  0.358509D+02 -0.139593D+02
      5   0.610744D+02  0.151343D+02 -0.367822D+02  0.145137D+02 -0.562718D+01
      6   0.129264D+02  0.956297D+01 -0.566688D+01 -0.155457D+02  0.297304D+01
                66            67            68            69            70 
      1   0.167069D+02  0.290695D+02  0.826411D+01  0.914744D+00  0.136160D+02
      2  -0.678264D+01 -0.233764D+02  0.746679D+00 -0.836772D+01  0.593581D+00
      3  -0.992426D+01 -0.569307D+01 -0.901079D+01  0.745298D+01 -0.142096D+02
      4  -0.148885D+02 -0.829327D+01 -0.130335D+02  0.109918D+02 -0.208589D+02
      5  -0.111916D+02 -0.575106D+01  0.108424D+02  0.570422D+01 -0.142539D+02
      6   0.831088D+01  0.428113D+01 -0.111805D+02 -0.498188D+01  0.130680D+02
                71            72            73            74            75 
      1  -0.145977D+01 -0.750167D+01 -0.102340D+02 -0.100614D+02 -0.278729D+01
      2  -0.102593D+02  0.601693D+01  0.646887D+01  0.339326D+01  0.811326D+01
      3   0.117191D+02  0.148474D+01  0.376518D+01  0.666809D+01 -0.532598D+01
      4   0.133476D+02  0.183999D+02 -0.108843D+02  0.540780D+01  0.170978D+02
      5   0.120524D+02 -0.300858D+02  0.621651D+01  0.174608D+02 -0.216322D+02
      6  -0.605487D+01  0.207160D+02  0.376711D+01  0.890249D+01  0.745157D+00
                76            77            78            79            80 
      1  -0.110543D+02  0.213287D+02  0.287689D+02  0.357871D+01  0.294589D+02
      2   0.535433D+01 -0.917759D+01 -0.157957D+02  0.807073D+01 -0.173122D+02
      3   0.569994D+01 -0.121511D+02 -0.129732D+02 -0.116494D+02 -0.121467D+02
      4   0.137921D+02  0.146778D+02  0.121735D+02  0.311869D+02  0.167391D+02
      5   0.289571D+02  0.820995D+01  0.601493D+01 -0.308004D+02  0.389601D+01
      6   0.800489D+01  0.166435D+01 -0.123746D+01 -0.189036D+01 -0.412104D+00
                81            82            83            84            85 
      1  -0.237960D+02 -0.418236D+02  0.158369D+01  0.899857D+01  0.339310D+01
      2   0.165539D+02  0.380481D+02  0.104921D+02 -0.786790D+01  0.100932D+02
      3   0.724216D+01  0.377549D+01 -0.120758D+02 -0.113066D+01 -0.134863D+02
      4  -0.124396D-01  0.183054D+02  0.172065D+02  0.118403D+01  0.244165D+02
      5  -0.116379D+02  0.136016D+02  0.344170D+01  0.228493D+01  0.312923D+01
      6   0.504468D+01  0.197381D+02  0.144181D+00  0.349814D+00  0.205953D+01
                86            87            88            89            90 
      1   0.793117D+01 -0.436167D+01  0.271791D+02  0.116769D+01  0.224799D+02
      2  -0.133008D+01  0.127816D+02 -0.222790D+02  0.107471D+02 -0.183468D+02
      3  -0.660109D+01 -0.841990D+01 -0.490008D+01 -0.119147D+02 -0.413311D+01
      4   0.218318D+01 -0.486745D+01 -0.127163D+01 -0.914256D+01 -0.144405D+02
      5   0.262845D+01 -0.118167D+02 -0.107201D+01 -0.173221D+02 -0.682283D+01
      6  -0.286738D+00 -0.165118D+02 -0.684354D+01 -0.269706D+02 -0.178897D+02
                91            92            93            94            95 
      1  -0.620150D+02  0.652931D+00 -0.336709D+02 -0.102174D+02  0.222764D+02
      2   0.377557D+02 -0.640116D+01  0.811215D+01  0.371365D+01 -0.236884D+02
      3   0.242594D+02  0.574823D+01  0.255587D+02  0.650378D+01  0.141199D+01
      4   0.108071D+01  0.165014D+02 -0.100724D+01  0.100983D+02  0.255112D+02
      5  -0.300212D+02 -0.302944D+01  0.120513D+02 -0.754236D+01  0.283295D+01
      6  -0.311385D+00  0.535970D+01 -0.242557D+00  0.358156D+01  0.763685D+01
                96            97            98            99           100 
      1   0.281311D+01 -0.190803D+02  0.463991D+01  0.182668D+02  0.389369D+02
      2   0.909707D+01  0.377862D+01  0.637529D+00 -0.372116D+01 -0.253210D+02
      3  -0.119102D+02  0.153017D+02 -0.527744D+01 -0.145457D+02 -0.136158D+02
      4   0.281383D+00 -0.415792D+01  0.604782D+01 -0.148966D+02  0.216960D+01
      5  -0.145324D+02  0.139129D+02 -0.126729D+02  0.572895D+01  0.262976D+02
      6   0.225905D+01 -0.255948D+01  0.623728D+01 -0.997628D+01 -0.651893D-01
               101           102           103           104           105 
      1  -0.131907D+01  0.174428D+02 -0.108940D+02  0.328957D+01 -0.817792D+01
      2   0.165817D+01 -0.134557D+02  0.757248D+01 -0.289011D+01  0.630988D+01
      3  -0.339106D+00 -0.398712D+01  0.332148D+01 -0.399458D+00  0.186804D+01
      4   0.619282D+01 -0.178647D+01  0.793360D+01 -0.640759D+01  0.492609D+01
      5  -0.385788D+01  0.224578D+02 -0.111775D+02  0.656416D+01 -0.904354D+01
      6   0.969215D+00  0.133219D+01  0.233056D+01 -0.166489D+01  0.349103D+01
               106           107           108           109           110 
      1   0.272988D+02 -0.510525D+01  0.180007D+02  0.535551D+02  0.156895D+02
      2  -0.229110D+02  0.479048D+01 -0.212567D+02 -0.247723D+02 -0.489461D+01
      3  -0.438781D+01  0.314769D+00  0.325592D+01 -0.287828D+02 -0.107949D+02
      4  -0.214574D+01  0.746469D+01 -0.360086D-01  0.286766D+02  0.159571D+02
      5   0.346536D+02 -0.286695D+01  0.365195D+02 -0.176959D+02 -0.784555D+01
      6   0.140874D+01  0.380045D+01  0.193005D+01 -0.673608D+01 -0.334055D+01
               111           112           113           114           115 
      1  -0.141155D+02  0.169441D+02  0.697365D+01 -0.723036D+01 -0.302200D+02
      2   0.611807D+01 -0.427329D+01  0.216706D+01  0.250168D+01  0.140475D+02
      3   0.799745D+01 -0.126708D+02 -0.914072D+01  0.472868D+01  0.161725D+02
      4  -0.103966D+02  0.208513D+02  0.168090D+02 -0.938596D+01 -0.207140D+02
      5   0.162102D+02 -0.947913D+01 -0.778978D+01  0.595494D+01  0.255221D+02
      6   0.391075D+01 -0.497224D+01 -0.328789D+01  0.462341D+01  0.782162D+01
               116           117           118           119           120 
      1  -0.112863D+02  0.157757D+02  0.950968D+00 -0.550037D+00  0.189032D+01
      2   0.382374D+01 -0.104062D+02 -0.344953D+01  0.199948D+00 -0.219405D+00
      3   0.746259D+01 -0.536943D+01  0.249856D+01  0.350089D+00 -0.167091D+01
      4  -0.157541D+02  0.109448D+02 -0.175288D+01  0.267273D+01 -0.224987D+00
      5   0.811688D+01 -0.193113D+02  0.144768D+01 -0.981962D+00  0.596217D+01
      6   0.538451D+01 -0.719736D+01 -0.152098D+01  0.863159D-01  0.252943D+00
               121           122           123           124           125 
      1   0.190963D+01 -0.679584D+01  0.710925D+01 -0.530244D-01  0.444459D+01
      2  -0.160919D+00  0.166320D+01  0.490366D+00 -0.749284D+00  0.296376D+01
      3  -0.174871D+01  0.513264D+01 -0.759961D+01  0.802309D+00 -0.740835D+01
      4   0.277251D+01 -0.272790D+01  0.259813D+01 -0.355015D+00  0.478098D+01
      5  -0.141765D+01  0.214887D+01 -0.455245D+01  0.532976D+01 -0.301884D+01
      6   0.316118D+00 -0.518513D+01  0.727026D+01 -0.562792D+00  0.583290D+01
               126           127           128           129           130 
      1  -0.193629D+02 -0.814021D+00  0.761494D+01 -0.320787D+01  0.609806D+01
      2  -0.103406D+02  0.272452D+01 -0.106158D+02  0.355452D+01 -0.605631D+01
      3   0.297036D+02 -0.191050D+01  0.300081D+01 -0.346648D+00 -0.417452D-01
      4  -0.400277D+01 -0.185047D+01  0.147851D+01 -0.197517D+01  0.392698D+01
      5   0.106770D+02 -0.157272D+01  0.331338D+00 -0.519313D+00  0.691814D+00
      6  -0.594923D+01 -0.445102D+01  0.112564D+01 -0.232284D+01  0.213776D+00
               131           132           133           134           135 
      1  -0.231720D+02  0.642657D+01 -0.679205D+01  0.132046D+02 -0.113720D+02
      2   0.354041D+02 -0.114167D+02  0.447505D+01 -0.213802D+02  0.126525D+02
      3  -0.122321D+02  0.499012D+01  0.231701D+01  0.817570D+01 -0.128056D+01
      4   0.118641D+02 -0.328654D+01 -0.407215D+01 -0.743396D+01  0.459363D+01
      5  -0.540264D+01  0.546514D+01 -0.211301D+00  0.695848D+01 -0.605874D+01
      6  -0.644088D+01  0.971662D+01 -0.269160D+00  0.115753D+02 -0.815491D+01
               136           137           138           139           140 
      1   0.577070D+01  0.475363D+01  0.345159D+01  0.372266D+01 -0.201668D+02
      2  -0.556402D+01 -0.357712D+01 -0.131359D+01 -0.256307D+01  0.191165D+02
      3  -0.206683D+00 -0.117651D+01 -0.213800D+01 -0.115958D+01  0.105028D+01
      4   0.465030D+01  0.504544D+01  0.492248D+01  0.677747D+01  0.150943D+02
      5   0.303727D+01  0.370266D+01  0.589340D+01  0.338784D+01  0.104071D+02
      6   0.315819D+01 -0.382269D-01  0.938617D-01  0.310633D+01  0.226057D+02
               141           142           143           144           145 
      1  -0.131499D+02 -0.269531D+01 -0.227664D+02 -0.280468D+02 -0.254321D+01
      2   0.858172D+01  0.228004D+01  0.125911D+02  0.621200D+01 -0.470362D+00
      3   0.456821D+01  0.415266D+00  0.101753D+02  0.218348D+02  0.301357D+01
      4   0.103188D+02  0.993596D+01  0.163412D+02  0.156048D+02  0.110237D+01
      5   0.103731D+02  0.105456D+02  0.177967D+02  0.223481D+02 -0.201868D+01
      6   0.212727D+02  0.799614D+01  0.314446D+02  0.355026D+02 -0.184759D+01
               146           147           148           149           150 
      1   0.264787D+01 -0.547875D+01  0.373106D+01 -0.133279D+02  0.991936D+01
      2  -0.246227D+00  0.141844D+01 -0.171475D+01  0.505988D+01  0.339155D+01
      3  -0.240164D+01  0.406031D+01 -0.201631D+01  0.826800D+01 -0.133109D+02
      4  -0.450814D-01  0.717206D+00  0.154514D+00  0.184019D+02 -0.820166D+01
      5  -0.948722D+00  0.378118D+01 -0.340283D+01 -0.542428D+01  0.839635D+01
      6   0.417213D+01 -0.206302D+01  0.275627D+01 -0.220416D+02  0.128858D+02
               151           152           153           154           155 
      1  -0.276639D+01  0.668979D+01 -0.672637D+01  0.239131D+02 -0.428956D+01
      2   0.128215D+01  0.127435D+01 -0.249573D+01 -0.229701D+02  0.336276D+01
      3   0.148423D+01 -0.796414D+01  0.922210D+01 -0.943000D+00  0.926805D+00
      4   0.452385D+00 -0.488236D+01  0.458351D+01 -0.125645D+02  0.937032D+01
      5   0.415357D+01  0.320978D+01 -0.348237D+01 -0.401808D+02  0.954428D+01
      6  -0.157454D+01  0.108110D+02 -0.768836D+01  0.869470D+01 -0.644527D+01
               156           157           158           159           160 
      1  -0.862429D+01 -0.474039D+01  0.156108D+00 -0.708302D+00 -0.713469D+01
      2   0.186816D+02  0.386038D+01 -0.187000D+01 -0.342444D+01  0.148426D+02
      3  -0.100573D+02  0.880012D+00  0.171389D+01  0.413274D+01 -0.770792D+01
      4   0.773415D+01  0.880257D+01 -0.567742D+01 -0.792144D+01  0.547891D+01
      5   0.349292D+02  0.103313D+02 -0.880354D+01 -0.975108D+01  0.263613D+02
      6  -0.669145D+01 -0.593677D+01  0.450152D+01  0.875798D+01 -0.496071D+01
               161           162           163           164           165 
      1  -0.328111D+00  0.150551D+01 -0.107832D+02 -0.101043D+02 -0.146124D+02
      2  -0.229241D+01 -0.155895D+02  0.236162D+01  0.511032D+01  0.771098D+00
      3   0.262053D+01  0.140840D+02  0.842154D+01  0.499394D+01  0.138413D+02
      4  -0.458605D+01 -0.651920D+01  0.362505D+00 -0.133832D+01 -0.228933D+00
      5  -0.661674D+01 -0.274685D+02  0.756534D+01  0.446942D+01  0.342818D+01
      6   0.627716D+01  0.694757D+01  0.819151D+01  0.972410D+01  0.697908D+01
               166           167           168           169           170 
      1  -0.949113D+01 -0.138211D+02 -0.103015D+02 -0.803676D+01 -0.580349D+01
      2   0.527121D+01  0.791853D+01  0.508630D+00  0.814783D+00 -0.258220D+00
      3   0.421992D+01  0.590253D+01  0.979288D+01  0.722197D+01  0.606171D+01
      4   0.230862D-02 -0.187163D+01 -0.320228D+01 -0.282776D-01 -0.161904D+01
      5   0.628088D+01  0.111042D+01 -0.211314D+01  0.592996D+01  0.210816D-01
      6   0.686683D+01  0.104808D+02  0.107278D+02  0.399167D+01  0.727785D+01
               171           172           173           174           175 
      1  -0.930721D+01  0.488508D+01 -0.506092D+01  0.383450D+01 -0.791079D+00
      2  -0.172505D+01 -0.170856D+01  0.262130D+01 -0.291427D+01  0.723972D-01
      3   0.110323D+02 -0.317653D+01  0.243962D+01 -0.920226D+00  0.718682D+00
      4  -0.157525D+01 -0.893790D+01  0.598397D+01 -0.416326D+01  0.391502D+01
      5   0.703437D+00  0.669594D+01 -0.246220D+01  0.107395D+02 -0.101927D+01
      6   0.670329D+01 -0.314653D+01  0.162314D+01 -0.502366D+01  0.197679D+01
               176           177           178           179           180 
      1  -0.345085D+01  0.321287D+01  0.455385D+01  0.469661D+01 -0.538058D+01
      2   0.287853D+01 -0.416695D+01 -0.375499D+01 -0.626108D+01 -0.729862D+01
      3   0.572317D+00  0.954087D+00 -0.798855D+00  0.156447D+01  0.126792D+02
      4  -0.236044D+01  0.555645D+01 -0.889656D+01  0.123567D+02 -0.146532D+02
      5   0.513038D+01 -0.360362D+01  0.158196D+02 -0.114753D+02  0.386995D+02
      6  -0.479422D+01  0.834467D+01 -0.929646D+01  0.131296D+02 -0.300114D+02
               181           182           183           184           185 
      1  -0.141739D+02 -0.246091D+02 -0.547960D+01 -0.147928D+02 -0.271972D+02
      2   0.150265D+02  0.289815D+02  0.419803D+01  0.150021D+02  0.364466D+02
      3  -0.852628D+00 -0.437239D+01  0.128157D+01 -0.209360D+00 -0.924941D+01
      4   0.473294D+01 -0.117407D+01  0.260716D+01  0.507579D+01 -0.722740D+01
      5  -0.307823D+01 -0.638500D+00 -0.121751D+01 -0.801364D+00 -0.315637D+01
      6   0.331714D+01  0.144344D+01  0.504846D+01  0.918234D+00  0.351371D+01
               186           187           188           189           190 
      1  -0.429010D+01 -0.572718D+01 -0.573047D+01 -0.577832D+01  0.437358D+02
      2   0.571639D+01  0.298078D+01  0.847504D+01  0.496671D+01 -0.107516D+02
      3  -0.142629D+01  0.274639D+01 -0.274457D+01  0.811607D+00 -0.329842D+02
      4  -0.148756D+01  0.376587D+01 -0.440340D+01 -0.219662D+01 -0.486838D+02
      5  -0.297687D+01  0.131669D+01 -0.342672D+01  0.966784D+00 -0.149249D+02
      6   0.609970D+01  0.179832D+01  0.750930D+01  0.165329D+01  0.942692D+01
               191           192           193           194           195 
      1  -0.160830D+02 -0.119782D+02 -0.122101D+02  0.407690D+01  0.121415D+01
      2  -0.164287D+01  0.420851D+01 -0.107311D+01  0.787928D+01  0.333706D+01
      3   0.177258D+02  0.776973D+01  0.132832D+02 -0.119562D+02 -0.455120D+01
      4   0.314973D+02  0.128354D+02  0.230033D+02 -0.198343D+02 -0.826402D+01
      5   0.606884D+01  0.132994D+02  0.545428D+01 -0.580993D+01 -0.428353D+01
      6  -0.508148D+01 -0.887694D+01 -0.377931D+01  0.563276D+01  0.504913D+01
               196           197           198           199           200 
      1  -0.152514D+02  0.294986D+01  0.703320D+01 -0.919617D+00 -0.201147D+01
      2   0.338087D+01  0.544976D+01 -0.304472D+01  0.168775D+01  0.167110D+01
      3   0.118705D+02 -0.839963D+01 -0.398847D+01 -0.768130D+00  0.340370D+00
      4   0.215015D+02 -0.171970D+02 -0.135566D+02 -0.172974D+01  0.201469D+01
      5   0.153238D+02 -0.871509D+01 -0.984756D+01  0.297439D+01 -0.145034D+01
      6  -0.107344D+02  0.762974D+01  0.647188D+01 -0.244371D-01  0.410420D+00
               201           202           203           204           205 
      1   0.169720D+01 -0.217652D+01 -0.264684D+01  0.590236D+01  0.319546D+01
      2  -0.129831D+01 -0.182569D+01  0.316349D+01 -0.346900D+01 -0.300488D+01
      3  -0.398891D+00  0.400221D+01 -0.516650D+00 -0.243337D+01 -0.190582D+00
      4  -0.215151D+01  0.156688D+01 -0.197686D+01  0.314492D+01 -0.228947D+01
      5   0.415063D+01 -0.995644D+00  0.136216D+01 -0.243176D+01  0.354007D+01
      6  -0.332853D+00 -0.109969D-01 -0.447661D+01  0.375798D+01 -0.669090D+00
               206           207           208           209           210 
      1   0.633475D+01 -0.670268D+01 -0.831948D+00  0.181749D+01 -0.291238D+01
      2  -0.522078D+01  0.153483D+01 -0.102215D+01 -0.883805D+00  0.694409D+00
      3  -0.111396D+01  0.516785D+01  0.185410D+01 -0.933680D+00  0.221797D+01
      4   0.370063D+01 -0.446928D+01  0.176241D+01  0.245213D+01 -0.231671D+01
      5  -0.369587D+01  0.538284D+01 -0.265090D+01 -0.255555D+01  0.532620D+01
      6   0.413988D+01 -0.649041D+01 -0.254944D+01  0.116394D+00  0.275883D+00
               211           212           213           214           215 
      1   0.299564D+01 -0.964172D+01  0.103918D+02 -0.316028D+01  0.986025D+01
      2  -0.373053D+01  0.407731D+01 -0.104771D+01  0.179967D+01 -0.221220D+01
      3   0.734894D+00  0.556441D+01 -0.934413D+01  0.136060D+01 -0.764805D+01
      4   0.336449D+00  0.561904D+01 -0.578901D+01 -0.286088D+01 -0.559073D+01
      5  -0.359850D+01 -0.695304D+01  0.992726D+01  0.338323D+01  0.819590D+01
      6  -0.270554D+00 -0.807406D+01  0.855336D+01  0.174265D+01  0.902606D+01
               216           217           218           219           220 
      1  -0.218578D+02  0.413722D+01 -0.921318D+01  0.458219D+01 -0.108256D+02
      2  -0.316821D+01  0.360802D-01  0.780766D+01 -0.919524D+00  0.447007D+01
      3   0.250260D+02 -0.417330D+01  0.140553D+01 -0.366267D+01  0.635551D+01
      4   0.702341D+01 -0.319839D+01 -0.338341D+01  0.155882D+01  0.866103D+01
      5  -0.191260D+02  0.500304D+00 -0.613555D-01 -0.389296D+01 -0.703446D+01
      6  -0.116219D+02 -0.132360D+01 -0.306224D+01  0.165205D+01  0.217126D+01
               221           222           223           224           225 
      1  -0.212595D+02  0.151079D+01  0.296292D+01  0.980577D+00 -0.608916D+01
      2   0.340238D+02 -0.921543D+00 -0.172913D+01  0.239726D+01  0.275316D+01
      3  -0.127643D+02 -0.589249D+00 -0.123379D+01 -0.337784D+01  0.333600D+01
      4  -0.474551D+02  0.683557D+01  0.225103D+01 -0.283992D+01 -0.339407D+01
      5   0.432452D+01 -0.981540D+01  0.449494D+00 -0.355665D+01  0.144862D+01
      6  -0.164629D+02  0.746536D+01 -0.483006D-01  0.509961D+01 -0.916591D+00
               226           227           228           229           230 
      1  -0.425454D+01  0.392079D+01  0.171038D+02  0.524961D+01 -0.929112D+01
      2  -0.195943D+01 -0.474287D-01  0.874459D+00 -0.242758D+01  0.345911D+01
      3   0.621396D+01 -0.387336D+01 -0.179783D+02 -0.282203D+01  0.583201D+01
      4   0.420728D+01 -0.534649D+01 -0.742172D+00 -0.111293D+01  0.163491D+01
      5   0.994845D+00  0.992944D+00 -0.977086D+01  0.266817D+01  0.488819D+01
      6   0.153856D+01 -0.341333D+01 -0.550371D+00 -0.125438D+01  0.303461D+01
               231           232           233           234           235 
      1  -0.699849D+01  0.174082D+02 -0.528435D+01 -0.250736D+02  0.866620D+02
      2  -0.400305D+01 -0.612421D+01 -0.163188D+01 -0.103897D+02 -0.482829D+02
      3   0.110015D+02 -0.112840D+02  0.691624D+01  0.354633D+02 -0.383791D+02
      4   0.654997D+01 -0.389060D+01  0.703654D+01  0.590313D+01 -0.134843D+02
      5   0.110934D+02  0.287793D+01  0.405055D+01  0.278121D+02  0.430522D+02
      6   0.685550D+01 -0.133420D+01  0.523764D+01  0.228987D+01 -0.131352D+01
               236           237           238           239           240 
      1  -0.349064D+01  0.223034D+02  0.465153D+01  0.660841D+01  0.119568D+01
      2   0.644890D+00 -0.158121D+02 -0.342546D+01 -0.187495D+01 -0.193059D+01
      3   0.284575D+01 -0.649136D+01 -0.122606D+01 -0.473346D+01  0.734911D+00
      4   0.120526D+02 -0.349796D+01  0.107318D+02 -0.293290D+01  0.366319D+01
      5  -0.169663D+01  0.233838D+02  0.294312D+01  0.468554D+01  0.324819D+01
      6   0.359041D+01 -0.165438D+01  0.371453D+01 -0.605937D+00  0.215994D+01
               241           242           243 
      1   0.125508D+02 -0.506188D+00  0.934056D+01
      2  -0.105610D+02 -0.275161D+00 -0.944308D+01
      3  -0.198975D+01  0.781349D+00  0.102519D+00
      4  -0.158561D+01  0.179154D+01 -0.311737D+00
      5   0.181019D+02  0.450908D+00  0.129975D+02
      6  -0.199388D+01  0.165631D+01 -0.372413D+00
 Leave Link  716 at Sun Sep 26 20:11:15 2021, MaxMem=  6442450944 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.175843D+03  0.862174D+01 -0.388703D+01
      2   0.862174D+01  0.111304D+03 -0.460051D+01
      3  -0.388703D+01 -0.460051D+01  0.112360D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.719962D+01  0.102526D+02  0.293716D+01
      2   0.216531D+02 -0.165200D+02 -0.205514D+02
      3  -0.318915D+02  0.386390D+02  0.232559D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.923535D+02  0.495848D+02 -0.182493D+02
      2  -0.634189D+02 -0.355604D+02 -0.155038D+02
      3  -0.289345D+02 -0.140244D+02  0.337531D+02
      4   0.432407D+02 -0.864418D+02 -0.548059D+02
      5  -0.115581D+02 -0.574684D+02 -0.402448D+02
      6  -0.322059D+02  0.122902D+01  0.322675D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.362343D+01 -0.332884D+01 -0.516340D+01 -0.409298D+01 -0.244801D+01
      2  -0.332884D+01 -0.233686D+01  0.166064D+00 -0.244801D+01  0.351597D+01
      3  -0.516340D+01  0.166064D+00  0.208628D+01  0.458794D+00 -0.333964D+01
                 6             7             8             9            10 
      1   0.458794D+00 -0.418441D+01  0.568225D+00  0.225074D+01 -0.265931D+02
      2  -0.333964D+01  0.568225D+00 -0.250076D+01 -0.134544D+01  0.544977D+01
      3  -0.103878D+01  0.225074D+01 -0.134544D+01  0.267599D+01  0.595679D+01
                11            12            13            14            15 
      1   0.544977D+01  0.595679D+01  0.823406D+01  0.243169D-01 -0.117679D+01
      2   0.203250D+01 -0.222128D-01  0.243169D-01 -0.831562D+00  0.252749D+01
      3  -0.222128D-01 -0.245849D+01 -0.117679D+01  0.252749D+01  0.191743D+01
                16            17            18            19            20 
      1   0.189530D+02 -0.125669D+01 -0.447827D+01  0.532227D+02  0.184335D+01
      2  -0.125669D+01  0.324255D+01  0.259210D+01  0.184335D+01  0.398201D+01
      3  -0.447827D+01  0.259210D+01 -0.336378D+01 -0.291946D+01  0.164771D+01
                21            22            23            24            25 
      1  -0.291946D+01 -0.351085D+01  0.802083D+01  0.442732D+01 -0.811179D+01
      2   0.164771D+01  0.802083D+01  0.184933D+01  0.702594D+00  0.336513D+01
      3   0.156644D+01  0.442732D+01  0.702594D+00 -0.406728D+01  0.300453D+01
                26            27            28            29            30 
      1   0.336513D+01  0.300453D+01 -0.661768D+02 -0.627911D+01  0.331123D+01
      2   0.360664D+00 -0.343326D+01 -0.627911D+01 -0.335701D+01 -0.381247D+00
      3  -0.343326D+01  0.288684D+01  0.331123D+01 -0.381247D+00 -0.217052D+01
                31            32            33            34            35 
      1  -0.149220D+02 -0.674763D+01 -0.968305D+00  0.822899D+01  0.145944D+00
      2  -0.674763D+01 -0.384146D+01 -0.125753D+01  0.145944D+00 -0.696448D+00
      3  -0.968305D+00 -0.125753D+01  0.214335D+01 -0.446204D+01  0.196843D+01
                36            37            38            39            40 
      1  -0.446204D+01  0.615582D+02  0.863616D+01 -0.479405D+01  0.154727D+02
      2   0.196843D+01  0.863616D+01  0.266242D+01  0.174992D+00  0.530392D+01
      3  -0.150229D+01 -0.479405D+01  0.174992D+00  0.960946D+00  0.203163D+00
                41            42            43            44            45 
      1   0.530392D+01  0.203163D+00 -0.755726D+01  0.446071D-01  0.335311D+01
      2   0.291262D+01  0.983529D+00  0.446071D-01  0.508469D+00 -0.296022D+01
      3   0.983529D+00 -0.323667D+01  0.335311D+01 -0.296022D+01  0.162793D+01
                46            47            48            49            50 
      1  -0.458598D+02 -0.880354D+01  0.503812D+01 -0.131976D+02 -0.298385D+01
      2  -0.880354D+01 -0.182455D+01  0.160400D+01 -0.298385D+01 -0.989865D+00
      3   0.503812D+01  0.160400D+01 -0.843341D+00  0.236056D+01 -0.313036D+00
                51            52            53            54            55 
      1   0.236056D+01  0.642480D+01  0.254123D+01 -0.158388D+01  0.398329D+02
      2  -0.313036D+00  0.254123D+01  0.131339D+00  0.140479D+01  0.723455D+01
      3   0.142853D+01 -0.158388D+01  0.140479D+01 -0.177162D+01 -0.485222D+01
                56            57            58            59            60 
      1   0.723455D+01 -0.485222D+01  0.194083D+02  0.771480D+01 -0.135205D+01
      2   0.284165D+01 -0.124497D+01  0.771480D+01  0.504098D+01 -0.188369D+01
      3  -0.124497D+01  0.249525D+01 -0.135205D+01 -0.188369D+01  0.765589D+00
                61            62            63            64            65 
      1  -0.209616D+02 -0.338908D+01  0.550295D+01  0.856402D+01 -0.512437D+01
      2  -0.338908D+01 -0.141630D+01  0.163368D+01 -0.512437D+01 -0.204598D+01
      3   0.550295D+01  0.163368D+01 -0.386833D+01 -0.317428D+01  0.503311D+00
                66            67            68            69            70 
      1  -0.317428D+01 -0.454906D+01 -0.162019D+01  0.728176D+00 -0.726319D+01
      2   0.503311D+00 -0.162019D+01  0.412228D+00 -0.229719D+01  0.103667D+01
      3   0.210418D+01  0.728176D+00 -0.229719D+01 -0.101769D+01  0.295718D+01
                71            72            73            74            75 
      1   0.103667D+01  0.295718D+01  0.674490D+00  0.100546D+01 -0.544724D+00
      2  -0.247928D+01 -0.234812D+01  0.100546D+01 -0.300766D+01 -0.311093D+01
      3  -0.234812D+01  0.592770D+01 -0.544724D+00 -0.311093D+01  0.228379D+01
                76            77            78            79            80 
      1   0.167684D+01 -0.310943D+01 -0.444708D+01 -0.129517D+01 -0.421117D+01
      2  -0.310943D+01 -0.238773D+01 -0.137680D+01 -0.421117D+01 -0.180119D+01
      3  -0.444708D+01 -0.137680D+01 -0.119591D+01  0.358019D+01 -0.759466D+00
                81            82            83            84            85 
      1   0.358019D+01 -0.102012D+02 -0.704839D+01 -0.229117D+01 -0.907063D+01
      2  -0.759466D+00 -0.704839D+01 -0.274751D+01  0.985031D+00 -0.505254D+01
      3   0.143670D+01 -0.229117D+01  0.985031D+00 -0.339035D-01  0.201094D+00
                86            87            88            89            90 
      1  -0.505254D+01  0.201094D+00  0.540789D+01  0.216153D+01  0.546130D-01
      2   0.876308D+00  0.687166D-01  0.216153D+01  0.102770D+01  0.497916D+01
      3   0.687166D-01  0.367655D+01  0.546130D-01  0.497916D+01  0.214256D+01
                91            92            93            94            95 
      1  -0.955894D+01 -0.736255D+00 -0.285085D+01 -0.222833D+01  0.136597D+01
      2  -0.736255D+00  0.235021D+01 -0.310639D+00  0.136597D+01  0.445716D+01
      3  -0.285085D+01 -0.310639D+00  0.308153D+01 -0.811687D+00 -0.104981D+00
                96            97            98            99           100 
      1  -0.811687D+00 -0.971777D+00 -0.712779D+00  0.292972D+01 -0.518838D+01
      2  -0.104981D+00 -0.712779D+00  0.600667D+00 -0.218515D+01  0.211131D+00
      3  -0.252777D+01  0.292972D+01 -0.218515D+01 -0.405024D+00 -0.264354D+01
               101           102           103           104           105 
      1   0.211131D+00 -0.264354D+01  0.157615D+01 -0.838582D+00  0.130699D+01
      2  -0.636436D+00  0.431279D+00 -0.838582D+00  0.924199D+00 -0.647050D+00
      3   0.431279D+00 -0.235947D+01  0.130699D+01 -0.647050D+00  0.124865D+01
               106           107           108           109           110 
      1  -0.422768D+01  0.816968D+00 -0.377829D+01 -0.714464D+01 -0.243150D+01
      2   0.816968D+00 -0.124994D+01  0.307573D+00 -0.243150D+01 -0.138538D+01
      3  -0.377829D+01  0.307573D+00 -0.454280D+01  0.217288D+01  0.101066D+01
               111           112           113           114           115 
      1   0.217288D+01 -0.250932D+01 -0.202019D+01  0.128012D+01  0.493208D+01
      2   0.101066D+01 -0.202019D+01 -0.186514D+01  0.988979D+00  0.202081D+01
      3  -0.181272D+01  0.128012D+01  0.988979D+00 -0.807279D+00 -0.316782D+01
               116           117           118           119           120 
      1   0.202081D+01 -0.316782D+01  0.103201D+00  0.604828D+00 -0.715545D+00
      2   0.177961D+01 -0.102463D+01  0.604828D+00 -0.257614D+00 -0.258249D+00
      3  -0.102463D+01  0.248346D+01 -0.715545D+00 -0.258249D+00 -0.130863D-01
               121           122           123           124           125 
      1   0.206121D+01 -0.631357D+00 -0.633617D-01 -0.727041D+00  0.604784D-01
      2  -0.631357D+00  0.131120D+01 -0.137591D+01  0.604784D-01 -0.177612D+01
      3  -0.633617D-01 -0.137591D+01  0.221928D+01 -0.596316D+00  0.161076D+01
               126           127           128           129           130 
      1  -0.596316D+00  0.109513D+01 -0.320316D+00  0.686001D+00  0.102547D+00
      2   0.161076D+01 -0.320316D+00  0.163368D+01 -0.498308D+00  0.700436D+00
      3  -0.603401D+01  0.686001D+00 -0.498308D+00  0.533067D+00 -0.323823D+00
               131           132           133           134           135 
      1   0.700436D+00 -0.323823D+00  0.125447D+01 -0.359626D+00  0.144226D+00
      2  -0.541935D+01  0.165554D+01 -0.359626D+00  0.340153D+01 -0.225922D+01
      3   0.165554D+01 -0.174520D+01  0.144226D+00 -0.225922D+01  0.209034D+01
               136           137           138           139           140 
      1   0.143945D+01 -0.215785D+00 -0.729703D+00  0.183392D+01 -0.401101D+00
      2  -0.215785D+00  0.245561D+00 -0.125877D+00 -0.401101D+00 -0.446318D+01
      3  -0.729703D+00 -0.125877D+00 -0.540832D-01 -0.583472D+00 -0.292629D+01
               141           142           143           144           145 
      1  -0.583472D+00 -0.250679D+01 -0.144192D+01 -0.113949D+01  0.526835D+00
      2  -0.292629D+01 -0.144192D+01 -0.475706D+01 -0.485208D+01 -0.594721D+00
      3  -0.280963D+01 -0.113949D+01 -0.485208D+01 -0.626526D+01  0.904125D+00
               146           147           148           149           150 
      1  -0.594721D+00  0.904125D+00 -0.720226D+00  0.912579D+00 -0.155288D+00
      2   0.914222D+00 -0.328901D+00  0.912579D+00 -0.545156D+01  0.240887D+01
      3  -0.328901D+00  0.363922D+00 -0.155288D+00  0.240887D+01 -0.293862D+01
               151           152           153           154           155 
      1   0.588004D+00 -0.218173D+00  0.758498D-01 -0.650556D+01  0.160032D+01
      2  -0.218173D+00  0.167005D+01 -0.150786D+01  0.160032D+01 -0.112838D+01
      3   0.758498D-01 -0.150786D+01  0.147816D+01  0.430034D+01 -0.959969D+00
               156           157           158           159           160 
      1   0.430034D+01  0.146577D+01 -0.103322D+01 -0.988508D+00  0.212250D+01
      2  -0.959969D+00 -0.103322D+01  0.749301D+00  0.142801D+01 -0.738200D+00
      3  -0.433680D+01 -0.988508D+00  0.142801D+01  0.152719D+01 -0.293710D+01
               161           162           163           164           165 
      1  -0.738200D+00 -0.293710D+01  0.365523D+01  0.172432D+01  0.167054D+01
      2   0.841861D+00  0.998931D+00  0.172432D+01  0.195565D+01  0.112751D+01
      3   0.998931D+00  0.367891D+01  0.167054D+01  0.112751D+01  0.237986D+01
               166           167           168           169           170 
      1   0.166736D+01  0.146213D+01  0.811768D+00  0.571866D+00  0.536167D+00
      2   0.146213D+01  0.218711D+01  0.177668D+01  0.536167D+00  0.966116D+00
      3   0.811768D+00  0.177668D+01  0.220453D+01  0.103379D+01  0.111902D+01
               171           172           173           174           175 
      1   0.103379D+01 -0.159492D+01  0.101808D+01 -0.896668D+00  0.554934D+00
      2   0.111902D+01  0.101808D+01 -0.184727D+00  0.286852D+00 -0.117342D+00
      3   0.178238D+01 -0.896668D+00  0.286852D+00 -0.120128D+01  0.230401D+00
               176           177           178           179           180 
      1  -0.117342D+00  0.230401D+00 -0.140641D+01  0.887475D+00 -0.214332D+01
      2   0.519245D+00 -0.958895D+00  0.887475D+00 -0.224590D+01  0.216827D+01
      3  -0.958895D+00  0.665248D+00 -0.214332D+01  0.216827D+01 -0.736793D+01
               181           182           183           184           185 
      1   0.220565D+01  0.204595D+01  0.766512D+00  0.152887D+01  0.166668D+01
      2   0.204595D+01  0.428899D+01  0.445217D+00  0.166668D+01  0.515317D+01
      3   0.766512D+00  0.445217D+00  0.834625D+00  0.261392D+00  0.820529D+00
               186           187           188           189           190 
      1   0.261392D+00  0.101136D+01  0.139069D+00  0.215761D+00 -0.790404D+01
      2   0.820529D+00  0.139069D+00  0.160266D+01  0.119816D+01  0.425255D+01
      3   0.844670D+00  0.215761D+00  0.119816D+01  0.191362D+00  0.222887D+01
               191           192           193           194           195 
      1   0.425255D+01  0.222887D+01  0.950152D+00 -0.217726D+01 -0.809848D+00
      2  -0.291226D+01 -0.950201D+00 -0.217726D+01  0.232208D+01  0.101420D+01
      3  -0.950201D+00 -0.180463D+01 -0.809848D+00  0.101420D+01  0.632444D+00
               196           197           198           199           200 
      1   0.405554D+01 -0.196205D+01 -0.221480D+01 -0.147106D+01 -0.960884D+00
      2  -0.196205D+01  0.225917D+01  0.138695D+01 -0.960884D+00 -0.240006D-01
      3  -0.221480D+01  0.138695D+01  0.133474D+01  0.113885D+01 -0.223660D+00
               201           202           203           204           205 
      1   0.113885D+01 -0.170693D+01  0.941297D+00  0.381502D+00  0.151815D+01
      2  -0.223660D+00  0.941297D+00 -0.127396D+01  0.146872D+01  0.451757D+00
      3   0.357206D+00  0.381502D+00  0.146872D+01 -0.188460D+01  0.517419D+00
               206           207           208           209           210 
      1   0.451757D+00  0.517419D+00  0.822394D+00  0.653804D+00 -0.851358D+00
      2   0.171374D+01 -0.179989D+01  0.653804D+00  0.610847D-01  0.275862D-01
      3  -0.179989D+01  0.379369D+01 -0.851358D+00  0.275862D-01 -0.107169D+00
               211           212           213           214           215 
      1   0.120015D+01 -0.120078D-01 -0.407913D+00 -0.157420D+01 -0.305546D+00
      2  -0.120078D-01  0.197003D+01 -0.198175D+01 -0.305546D+00 -0.209990D+01
      3  -0.407913D+00 -0.198175D+01  0.286912D+01  0.129165D+00  0.259477D+01
               216           217           218           219           220 
      1   0.129165D+00  0.107523D+01 -0.627018D+00  0.833738D-01 -0.242708D+01
      2   0.259477D+01 -0.627018D+00 -0.121657D+01  0.297008D+00  0.519482D+00
      3  -0.591090D+01  0.833738D-01  0.297008D+00 -0.936807D+00 -0.741155D+00
               221           222           223           224           225 
      1   0.519482D+00 -0.741155D+00  0.799005D+00  0.200967D+00 -0.972751D-01
      2  -0.771765D+01  0.101017D+01  0.200967D+00 -0.398984D+00 -0.652439D+00
      3   0.101017D+01 -0.152603D+01 -0.972751D-01 -0.652439D+00  0.374096D+00
               226           227           228           229           230 
      1  -0.369391D+00  0.754693D+00  0.105170D+01  0.749429D+00 -0.409894D+00
      2   0.754693D+00 -0.100611D+01 -0.132737D+00 -0.409894D+00  0.425415D+00
      3   0.105170D+01 -0.132737D+00 -0.286741D+01 -0.901528D-01  0.122778D+01
               231           232           233           234           235 
      1  -0.901528D-01  0.296231D+01 -0.394999D+00 -0.536462D+00  0.101690D+02
      2   0.122778D+01 -0.394999D+00  0.115772D+01  0.988441D+00 -0.564235D+00
      3   0.216967D+01 -0.536462D+00  0.988441D+00  0.590064D+01  0.311762D+01
               236           237           238           239           240 
      1  -0.564235D+00  0.311762D+01  0.452537D+00  0.970158D+00  0.268152D+00
      2   0.110306D+01 -0.159324D+00  0.970158D+00 -0.384894D+00  0.380972D+00
      3  -0.159324D+00  0.195263D+01  0.268152D+00  0.380972D+00  0.483202D+00
               241           242           243 
      1   0.195740D+01  0.132047D-01  0.138582D+01
      2   0.132047D-01  0.158059D+00  0.176746D+00
      3   0.138582D+01  0.176746D+00  0.122643D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.598063D+01 -0.567777D+01  0.247491D-01 -0.506717D+01  0.102874D+02
      2   0.948934D+01  0.761787D+01  0.103440D+02  0.678877D+01  0.127917D+02
      3  -0.708447D+01 -0.790934D+01 -0.150747D+01 -0.402187D+01  0.527932D+01
                 6             7             8             9            10 
      1  -0.112663D+02 -0.110856D+01 -0.421696D+01 -0.244815D+01  0.204292D+01
      2   0.108485D+01  0.137794D+01  0.237598D+01 -0.846760D+01 -0.249549D+02
      3  -0.585188D+01 -0.456990D+00 -0.484322D+01 -0.191088D+01  0.149100D+02
                11            12            13            14            15 
      1   0.237469D+01  0.154819D+01  0.151112D+01 -0.439477D+01 -0.489643D+01
      2  -0.128147D+01  0.882569D+01 -0.116960D+01 -0.958746D+01 -0.563785D+01
      3   0.416133D+01  0.408166D+01  0.147825D+02  0.331203D+01  0.654314D+01
                16            17            18            19            20 
      1   0.413503D+00  0.571944D+01  0.400779D+01 -0.279655D+01 -0.419040D+00
      2   0.119958D+02 -0.599077D+01  0.762931D+01  0.326036D+02  0.245599D+01
      3  -0.150788D+01  0.680984D+01  0.434107D+01 -0.191988D+02 -0.578269D+01
                21            22            23            24            25 
      1  -0.852606D+00  0.151194D+01 -0.113972D+01 -0.458086D+01 -0.117279D+00
      2   0.127403D+01  0.107752D+01  0.640015D+01  0.703126D+01 -0.176815D+02
      3   0.530800D-01  0.401280D+01 -0.543633D+01 -0.111029D+01 -0.116529D+01
                26            27            28            29            30 
      1   0.270912D+00  0.426945D+01  0.764968D+01 -0.134761D+01 -0.957988D+00
      2   0.512183D+01 -0.113920D-01 -0.347421D+02 -0.523160D+01 -0.244022D+01
      3  -0.282157D+01 -0.331141D+01  0.155690D+02  0.578747D+01  0.486458D+00
                31            32            33            34            35 
      1  -0.569105D+01  0.398866D+00 -0.214051D+01 -0.369314D+01  0.324255D+01
      2  -0.168063D+02 -0.457453D+01 -0.477329D+00 -0.239502D+02 -0.329183D+01
      3   0.355976D+02  0.873936D+01 -0.142523D+01  0.392857D+01  0.142306D+01
                36            37            38            39            40 
      1  -0.382912D+01 -0.784013D+01  0.264380D+01  0.192062D+01  0.766031D+01
      2   0.193362D+00  0.254160D+02  0.587856D+01  0.490344D+01  0.163156D+02
      3   0.711254D+00 -0.224512D+02 -0.109601D+02 -0.291229D+00 -0.924141D+00
                41            42            43            44            45 
      1   0.689940D+00 -0.789154D+00  0.106229D+02  0.178808D+01  0.520468D+00
      2   0.618235D+01 -0.574477D+01 -0.114444D+02 -0.685893D+01  0.990335D+01
      3  -0.183926D+01 -0.395135D+01 -0.325220D+01 -0.556557D+01  0.411101D+01
                46            47            48            49            50 
      1   0.647503D+01 -0.100574D+02 -0.254160D+01 -0.283049D+01  0.836474D+01
      2  -0.892738D+01 -0.689572D+01 -0.976037D+01 -0.599988D+01 -0.855682D+00
      3   0.158674D+02  0.173194D+02  0.920711D+00  0.246839D+02  0.627780D+01
                51            52            53            54            55 
      1  -0.113187D+02 -0.281944D+00  0.180692D+00 -0.116030D+02 -0.398043D+01
      2  -0.194327D+01 -0.167096D+02  0.199772D+01 -0.659498D+01  0.101367D+02
      3   0.341568D+01  0.121752D+01 -0.501301D+00 -0.184450D+01 -0.124336D+02
                56            57            58            59            60 
      1   0.281869D+01 -0.295237D+00 -0.416659D+01 -0.320019D+01 -0.572424D+00
      2   0.168568D+01  0.177369D+02  0.786455D+01 -0.155426D+01  0.788988D+01
      3  -0.198628D+02  0.203715D+01 -0.151014D+02 -0.173026D+02  0.383191D+01
                61            62            63            64            65 
      1   0.200768D+00  0.266195D+01  0.347490D+01  0.707555D+01 -0.120485D+01
      2   0.690715D+00  0.231611D+01 -0.120911D+02  0.109189D+02 -0.226906D+01
      3   0.483311D+01  0.878345D+01 -0.387267D+01 -0.944566D+01 -0.208255D+02
                66            67            68            69            70 
      1  -0.546662D+01 -0.218668D+00  0.570733D+01  0.215090D+01 -0.871642D+01
      2  -0.377836D+01 -0.196488D+01  0.558742D+01  0.310323D+01 -0.122466D+02
      3  -0.554915D+01 -0.963544D+01 -0.547740D+01 -0.537103D+01 -0.225139D+01
                71            72            73            74            75 
      1   0.908220D+01 -0.137635D+02 -0.420537D+00 -0.264892D+01  0.335656D+01
      2   0.640137D+01 -0.146570D+02  0.220408D+01  0.134015D+02 -0.621056D+01
      3  -0.482130D+01 -0.426249D+00  0.589680D+01 -0.171253D+02 -0.136280D+02
                76            77            78            79            80 
      1  -0.304611D+01 -0.504653D+00 -0.273497D+01  0.544821D+01  0.151084D+01
      2   0.171211D+02  0.427944D+01  0.185538D+01 -0.186381D+02 -0.108051D+01
      3  -0.872196D+01 -0.442997D+01 -0.184071D+01 -0.158556D+02 -0.115079D+01
                81            82            83            84            85 
      1   0.156761D+01 -0.995438D+00  0.499094D+01 -0.143844D+01  0.442440D+01
      2  -0.354743D+01 -0.416306D+01 -0.861814D+01 -0.119039D+00 -0.128546D+02
      3  -0.548607D+01 -0.703891D+01  0.503088D+01  0.533429D+01  0.157548D+02
                86            87            88            89            90 
      1  -0.995543D+00  0.678243D+01 -0.116149D+01  0.158842D+02  0.111400D+01
      2  -0.497412D+01 -0.553090D+01 -0.230283D+01 -0.620113D+01 -0.292676D+01
      3   0.910604D+01 -0.236411D+01  0.720477D+01 -0.251559D+01  0.901772D+01
                91            92            93            94            95 
      1  -0.199166D+01  0.560564D+01  0.433160D+01 -0.424290D+01  0.838202D+01
      2  -0.291003D+01 -0.346914D+00  0.193514D+02 -0.170914D+01 -0.427552D+01
      3   0.672819D+01 -0.108054D+02  0.323335D+01  0.625489D+00 -0.175901D+02
                96            97            98            99           100 
      1  -0.825577D+01 -0.185773D+01  0.429962D+01 -0.498304D+01 -0.215899D+01
      2  -0.109634D+02  0.751131D+01 -0.755826D+01 -0.647885D+01  0.534211D+01
      3   0.129058D+01  0.261141D+01 -0.375667D+01  0.520199D+01  0.494597D+01
               101           102           103           104           105 
      1   0.156850D+01 -0.197113D+01  0.104013D+01 -0.167411D+01  0.426989D+00
      2  -0.186931D+01  0.847100D+01 -0.373200D+01  0.171560D+01 -0.397138D+01
      3  -0.375548D+01  0.396108D+01 -0.191109D+01  0.479722D+01 -0.303360D+01
               106           107           108           109           110 
      1  -0.341700D+01  0.319506D+01 -0.357927D+01  0.268972D+01  0.485102D+00
      2   0.822432D+01 -0.987306D+00  0.141704D+02 -0.915198D+01 -0.418886D+01
      3   0.650751D+01 -0.609098D+01  0.435730D+01 -0.525276D+00 -0.491051D+01
               111           112           113           114           115 
      1  -0.270650D+01  0.202981D+01  0.859035D+00 -0.220760D+01 -0.305159D+01
      2   0.937889D+01 -0.543868D+01 -0.413118D+01  0.402491D+01  0.102170D+02
      3   0.135431D+01 -0.184842D+01 -0.484419D+01  0.206531D+01  0.258471D+01
               116           117           118           119           120 
      1   0.362426D+00  0.337530D+01 -0.335666D+00  0.760679D-02  0.117079D+00
      2   0.366393D+01 -0.111556D+02  0.240185D+01  0.559881D+00  0.604495D+00
      3   0.573677D+01 -0.459886D+00  0.892067D+00 -0.936062D+00  0.323615D+00
               121           122           123           124           125 
      1  -0.201755D+01 -0.266793D+01  0.695975D+00 -0.120793D+01  0.442818D+01
      2   0.163192D+01  0.569197D+00 -0.264317D+01 -0.360054D+01 -0.159877D+01
      3   0.173006D+01  0.921587D+00 -0.119677D+01  0.170203D+00 -0.163778D+01
               126           127           128           129           130 
      1  -0.272139D+01  0.244338D+01 -0.206182D+01  0.237922D+01 -0.164663D+01
      2   0.543515D+01 -0.583553D+00  0.840852D+00  0.544497D+00  0.136032D+01
      3   0.205791D+01 -0.323977D+01  0.222344D+01 -0.277551D+01  0.394310D+01
               131           132           133           134           135 
      1   0.728754D+01 -0.729238D+01  0.920960D+00 -0.617140D+01  0.865462D+01
      2  -0.200831D+01  0.235061D+01 -0.726320D+00  0.334452D+01 -0.299388D+01
      3  -0.110361D+02  0.397970D+01 -0.467579D+01  0.694908D+01 -0.512663D+01
               136           137           138           139           140 
      1  -0.104431D+01 -0.641918D+00  0.893151D-01 -0.503870D+00 -0.666328D+00
      2   0.206741D+01  0.133590D+00  0.369518D+00  0.610266D+00  0.467841D+01
      3  -0.117048D+01 -0.155611D+00  0.957610D+00  0.122361D+01 -0.774956D+01
               141           142           143           144           145 
      1  -0.508772D+01 -0.115881D+00 -0.313499D+01 -0.974565D+01 -0.157497D+01
      2   0.468016D+01 -0.262783D+01  0.716535D+01  0.996974D+01 -0.437830D+01
      3  -0.438697D+01  0.207251D+01 -0.684882D+01 -0.766505D+01 -0.156234D+01
               146           147           148           149           150 
      1   0.292426D+01 -0.263898D+00  0.266390D+01 -0.147919D+02  0.225971D+01
      2   0.225582D+01 -0.141842D+01  0.405739D+01 -0.750968D+01  0.582578D+01
      3   0.101097D+01 -0.321659D+00  0.397616D+01 -0.887571D+01  0.392020D+01
               151           152           153           154           155 
      1  -0.312979D+00  0.472892D+01 -0.302426D+01  0.194227D+01 -0.330251D+01
      2  -0.256759D+01  0.354747D+01 -0.282826D+01  0.447617D+01 -0.132619D+01
      3  -0.673686D+00  0.258933D+01 -0.258208D+01  0.133841D+01 -0.379164D+01
               156           157           158           159           160 
      1   0.126340D+00 -0.156641D+01  0.114737D+01  0.947783D+00 -0.879658D+00
      2   0.345268D+01 -0.201526D+01 -0.128892D+01 -0.179673D+01 -0.322759D+01
      3  -0.688509D+00 -0.765177D+00  0.161278D+01  0.246281D+01 -0.655131D-01
               161           162           163           164           165 
      1   0.320781D+01  0.353910D+00  0.304890D+01  0.485212D+01  0.293948D+00
      2  -0.329832D+00 -0.195962D+01 -0.149818D+02 -0.663278D+01 -0.671278D+01
      3   0.232880D+01  0.101076D+01  0.668782D+01  0.279043D+01  0.286475D+01
               166           167           168           169           170 
      1   0.289163D+01  0.407967D+01  0.642175D+00  0.794315D+00  0.299675D+01
      2  -0.726203D+01 -0.734526D+01 -0.525328D+01 -0.573786D+01 -0.362505D+01
      3   0.548880D+01  0.373710D+01  0.374435D+01  0.154575D+01  0.130556D+01
               171           172           173           174           175 
      1   0.140793D+01  0.170011D+01 -0.291691D+00  0.287196D+01 -0.840403D+00
      2  -0.547496D+01  0.160182D+01 -0.617258D+00  0.349551D+01 -0.355333D+00
      3   0.284280D+01  0.691066D+00  0.317467D+00 -0.873553D+00  0.124414D+01
               176           177           178           179           180 
      1   0.196202D+01 -0.238432D+01  0.418370D+01 -0.403609D+00  0.168270D+02
      2   0.224526D+01 -0.158710D+01  0.200239D+01 -0.473853D+01  0.180179D+02
      3   0.102092D+01 -0.183780D+01 -0.152490D+01 -0.489663D+01  0.229493D+01
               181           182           183           184           185 
      1  -0.199172D+01 -0.876330D+00 -0.332350D+01 -0.109353D+01 -0.230315D+01
      2  -0.161154D+01 -0.724969D+00 -0.279416D+00 -0.269833D+00 -0.157310D+01
      3   0.147687D+02  0.145280D+02  0.320827D+01  0.103713D+02  0.175639D+02
               186           187           188           189           190 
      1  -0.401493D+01 -0.830389D+00 -0.119583D+01 -0.648009D+00 -0.512693D+01
      2  -0.105920D+01 -0.134169D+01 -0.250367D+01 -0.246454D+00 -0.612203D+01
      3   0.305030D+01  0.278026D+01  0.447202D+01  0.375723D+01 -0.373300D+01
               191           192           193           194           195 
      1   0.174935D+01  0.541042D+01  0.254640D+01 -0.235206D+01 -0.292431D+01
      2   0.292699D+01  0.753016D+01  0.161111D+01 -0.301354D+01 -0.272207D+01
      3  -0.257118D+01  0.216346D+01  0.199320D+01  0.270458D+01  0.870577D+00
               196           197           198           199           200 
      1   0.435627D+01 -0.133103D+01 -0.327128D+01 -0.235631D-01  0.393966D+00
      2   0.520760D+01 -0.345989D+01 -0.448810D+01 -0.581083D+00 -0.475816D+00
      3   0.136050D+01  0.378225D+01 -0.369092D+00  0.102983D+01  0.458842D+00
               201           202           203           204           205 
      1   0.286200D+00  0.457773D+01  0.793788D+00 -0.286276D+01  0.251577D+01
      2  -0.989319D-01  0.158920D+01  0.141604D+01 -0.761828D+00 -0.239021D+01
      3  -0.812039D+00  0.269164D+01  0.596120D-01 -0.265959D+00 -0.234424D+01
               206           207           208           209           210 
      1   0.118598D+01  0.355537D+01 -0.923536D+00  0.526646D+00  0.141818D-01
      2   0.208176D+00  0.250320D+01 -0.977480D+00  0.208646D+00  0.388840D+00
      3  -0.855993D+00  0.528779D+00 -0.180389D+01 -0.581787D+00  0.272567D+00
               211           212           213           214           215 
      1   0.166300D+01 -0.198512D+01 -0.220099D+00  0.747904D+00  0.367121D+01
      2   0.333119D+00 -0.408659D+01  0.522488D+01 -0.363269D+01  0.464865D+01
      3   0.328374D+01 -0.373090D+01  0.421463D+01  0.630638D+00  0.436178D+01
               216           217           218           219           220 
      1   0.668647D+00  0.332082D+00 -0.242253D+01  0.148650D+00  0.100976D+01
      2  -0.106362D+02  0.697672D+00  0.234605D+01 -0.255879D+01  0.745390D-01
      3  -0.530122D+01  0.216395D+01  0.468813D+01 -0.120053D+01  0.859862D+00
               221           222           223           224           225 
      1  -0.126456D+02 -0.352002D-01  0.204347D+01 -0.880292D+00 -0.512008D+00
      2   0.448738D+01 -0.389755D+01  0.112979D+00 -0.215394D+01  0.231630D+01
      3   0.274983D+02 -0.340624D+01 -0.185241D+01  0.173074D+01  0.238377D+01
               226           227           228           229           230 
      1   0.331530D+00 -0.178363D+01 -0.412029D+01  0.756823D+00  0.194162D+01
      2   0.623384D+01 -0.183932D+01 -0.128842D+02 -0.152726D+01  0.584949D+01
      3  -0.154047D+01  0.189268D+01 -0.304744D-01  0.715874D+00 -0.822357D+00
               231           232           233           234           235 
      1   0.376798D+01 -0.187096D+01  0.338373D+01  0.711206D+01  0.145388D+01
      2   0.907359D+01 -0.654218D+01  0.428023D+01  0.236351D+02 -0.144867D+01
      3  -0.438153D+01  0.745310D-01 -0.303774D+01 -0.273962D+01 -0.457301D+01
               236           237           238           239           240 
      1   0.179473D+01  0.101879D+01  0.588764D+00 -0.280002D+00 -0.271072D+00
      2  -0.294278D+00  0.577165D+01  0.669481D+00  0.575697D+00  0.184525D+01
      3  -0.588685D+01 -0.127261D+01 -0.213053D+01  0.814066D+00 -0.909713D+00
               241           242           243 
      1   0.686767D+00  0.118483D+01  0.917993D+00
      2   0.109182D+00  0.997001D+00  0.272830D+01
      3  -0.189609D+01 -0.928731D+00 -0.152116D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.446315D+01  0.134124D+02  0.188864D+02  0.118066D+02  0.153040D+02
      2   0.774314D+01 -0.100048D+02 -0.175789D+02 -0.952428D+01  0.147414D+01
      3  -0.122063D+02 -0.340764D+01 -0.130755D+01 -0.228229D+01 -0.167781D+02
      4   0.136938D+02  0.328321D+01 -0.703788D+01  0.543677D+01 -0.155650D+02
      5   0.268383D+02 -0.129634D+02 -0.265011D+02 -0.143099D+02  0.512174D+01
      6  -0.150273D+02 -0.842387D+01  0.252552D+01 -0.697331D+01  0.104491D+02
                 6             7             8             9            10 
      1   0.482630D+00  0.133772D+02 -0.136373D-01 -0.164336D+02 -0.282573D+02
      2   0.313471D+01 -0.127456D+02  0.201121D+01 -0.162127D+01  0.229213D+02
      3  -0.361734D+01 -0.631583D+00 -0.199757D+01  0.180548D+02  0.533603D+01
      4   0.109424D+02 -0.751370D+01  0.846107D+01  0.711761D+01 -0.396075D+02
      5   0.477293D+01 -0.251656D+02  0.630881D+01 -0.227466D+01 -0.128556D+02
      6  -0.127698D+02  0.352180D+01 -0.111482D+02 -0.112658D+01  0.126051D+02
                11            12            13            14            15 
      1  -0.196797D+02 -0.858432D+01 -0.276470D+02 -0.254772D+02 -0.109965D+02
      2   0.149734D+02  0.597023D+01  0.198109D+02  0.360743D+01  0.612486D+01
      3   0.470629D+01  0.261409D+01  0.783613D+01  0.218697D+02  0.487160D+01
      4  -0.175301D+01  0.394567D+01 -0.496977D+01  0.280788D+01 -0.132645D+02
      5   0.991491D+00  0.132316D+02  0.272988D+01 -0.887075D+01 -0.602311D+01
      6  -0.216810D+01 -0.255766D+01  0.144694D+01  0.846821D+01  0.651536D+01
                16            17            18            19            20 
      1   0.234713D+01 -0.972723D+01  0.102941D+02  0.799053D+02  0.124898D+02
      2  -0.720942D+01  0.908664D+01  0.901465D+00 -0.645430D+02 -0.121172D+02
      3   0.486228D+01  0.640593D+00 -0.111956D+02 -0.153623D+02 -0.372536D+00
      4   0.998216D+01 -0.175779D+02 -0.134258D+02  0.219381D+02 -0.142561D+02
      5   0.139044D+02 -0.972496D+01  0.153833D+02 -0.195184D+02 -0.833797D+01
      6  -0.808731D+01  0.565515D+01 -0.635721D+01 -0.283352D+02 -0.620622D+01
                21            22            23            24            25 
      1   0.217962D+01  0.120369D+02  0.118509D+02 -0.898758D+00  0.116911D+01
      2  -0.317913D+01 -0.147575D+02 -0.812253D+01 -0.703751D+01  0.292263D+01
      3   0.999510D+00  0.272064D+01 -0.372836D+01  0.793626D+01 -0.409175D+01
      4  -0.808004D+01 -0.276414D+02 -0.594273D+01  0.224823D+01 -0.148596D+02
      5  -0.167277D+01 -0.133854D+02 -0.498996D+01  0.730915D+01 -0.689601D+01
      6  -0.167625D+01 -0.101220D+02 -0.643477D+01 -0.264065D+01  0.710304D-01
                26            27            28            29            30 
      1  -0.128080D+01  0.636109D+01 -0.144021D+03 -0.134598D+02  0.359511D+01
      2  -0.830697D+01  0.730696D+01  0.925268D+02  0.800231D+01 -0.325035D+01
      3   0.958777D+01 -0.136681D+02  0.514941D+02  0.545750D+01 -0.344758D+00
      4   0.527239D+01  0.917783D+01 -0.217689D+02 -0.818343D+01  0.122236D+01
      5   0.537562D+01 -0.431995D+01  0.341510D+02  0.310973D+01 -0.112976D+02
      6  -0.885913D+00  0.747449D+01  0.289849D+02  0.556922D+01  0.452404D+00
                31            32            33            34            35 
      1  -0.431075D+02 -0.276721D+02 -0.633492D+01  0.269835D+02 -0.332028D+01
      2   0.302224D+02  0.212252D+02  0.433606D+01 -0.141710D+02  0.581550D+01
      3   0.128851D+02  0.644686D+01  0.199886D+01 -0.128126D+02 -0.249522D+01
      4  -0.176579D+02 -0.117911D+02 -0.337088D+01  0.297091D+01 -0.419242D+01
      5   0.682053D+01  0.198465D+01 -0.211478D+00 -0.958909D+01  0.153862D+01
      6   0.790602D+01  0.102475D+02  0.425689D+01 -0.182392D+00  0.226334D+01
                36            37            38            39            40 
      1  -0.132851D+02  0.189940D+03  0.320156D+02 -0.150813D+02  0.384617D+02
      2   0.212952D+01 -0.110387D+03 -0.187388D+02  0.948078D+01 -0.189861D+02
      3   0.111556D+02 -0.795533D+02 -0.132768D+02  0.560056D+01 -0.194756D+02
      4   0.676672D+00  0.410476D+02  0.174381D+02  0.870917D-01  0.319345D+02
      5  -0.476182D+00 -0.497972D+02 -0.409308D+01  0.119415D+02 -0.146270D+01
      6   0.471957D+01 -0.267039D+02 -0.527956D+01  0.141851D+00 -0.102994D+02
                41            42            43            44            45 
      1   0.101672D+02 -0.103320D+02 -0.837758D+01 -0.981742D+01  0.114444D+02
      2   0.655893D+00 -0.179355D+01  0.114717D+02  0.384882D+01 -0.514574D+01
      3  -0.108231D+02  0.121255D+02 -0.309411D+01  0.596860D+01 -0.629870D+01
      4   0.658137D+01  0.128011D+01  0.925455D+01  0.746223D+01 -0.998947D+01
      5   0.184704D+01 -0.131711D+02  0.179298D+02 -0.874903D+01  0.782717D+01
      6   0.783187D-01  0.380271D+00  0.139223D+01 -0.311812D+00  0.103785D+02
                46            47            48            49            50 
      1  -0.179321D+03 -0.367633D+02  0.310651D+02 -0.682345D+02 -0.210222D+02
      2   0.941875D+02  0.165410D+02 -0.159063D+02  0.350937D+02  0.115542D+02
      3   0.851336D+02  0.202223D+02 -0.151589D+02  0.331408D+02  0.946794D+01
      4  -0.652316D+02 -0.323623D+02  0.105425D+02 -0.182268D+02 -0.105418D+02
      5   0.654479D+02  0.146743D+02 -0.259764D+02  0.299792D+02  0.362219D+00
      6   0.227083D+02  0.284001D+01 -0.545313D+01  0.601396D+00  0.685982D+01
                51            52            53            54            55 
      1   0.120868D+02  0.458190D+02  0.136681D+02 -0.142688D+02  0.198673D+03
      2  -0.101894D+02 -0.179731D+02 -0.809380D+00  0.109982D+02 -0.101927D+03
      3  -0.189733D+01 -0.278460D+02 -0.128587D+02  0.327065D+01 -0.967468D+02
      4  -0.118899D+01  0.243327D+02 -0.226571D+01  0.639945D+01  0.587355D+02
      5   0.522746D+01 -0.162988D+02  0.735673D+01 -0.126879D+02 -0.629069D+02
      6   0.105965D+01  0.388978D+01 -0.246334D+01  0.498687D+01 -0.132286D+02
                56            57            58            59            60 
      1   0.374978D+02 -0.323875D+02  0.803644D+02  0.325124D+02 -0.510160D+01
      2  -0.142385D+02  0.208939D+02 -0.351461D+02 -0.516211D+01  0.111829D+01
      3  -0.232592D+02  0.114936D+02 -0.452183D+02 -0.273503D+02  0.398330D+01
      4   0.385506D+02 -0.105577D+02  0.635554D+02  0.427828D+02 -0.151673D+02
      5  -0.128382D+02  0.369617D+02 -0.219956D+02 -0.172504D+02  0.108391D+02
      6  -0.559098D+01  0.537428D+01 -0.125202D+02 -0.883768D+01  0.899971D+01
                61            62            63            64            65 
      1  -0.901536D+02 -0.125988D+02  0.255737D+02 -0.107959D+01  0.340947D+02
      2   0.530633D+02  0.537471D+01 -0.229401D+02 -0.155877D+02 -0.277993D+02
      3   0.370904D+02  0.722412D+01 -0.263358D+01  0.166673D+02 -0.629539D+01
      4  -0.256129D+02 -0.133174D+02  0.130548D+02  0.358509D+02 -0.139593D+02
      5   0.610744D+02  0.151343D+02 -0.367822D+02  0.145137D+02 -0.562718D+01
      6   0.129264D+02  0.956297D+01 -0.566688D+01 -0.155457D+02  0.297304D+01
                66            67            68            69            70 
      1   0.167069D+02  0.290695D+02  0.826411D+01  0.914744D+00  0.136160D+02
      2  -0.678264D+01 -0.233764D+02  0.746679D+00 -0.836772D+01  0.593581D+00
      3  -0.992426D+01 -0.569307D+01 -0.901079D+01  0.745298D+01 -0.142096D+02
      4  -0.148885D+02 -0.829327D+01 -0.130335D+02  0.109918D+02 -0.208589D+02
      5  -0.111916D+02 -0.575106D+01  0.108424D+02  0.570422D+01 -0.142539D+02
      6   0.831088D+01  0.428113D+01 -0.111805D+02 -0.498188D+01  0.130680D+02
                71            72            73            74            75 
      1  -0.145977D+01 -0.750167D+01 -0.102340D+02 -0.100614D+02 -0.278729D+01
      2  -0.102593D+02  0.601693D+01  0.646887D+01  0.339326D+01  0.811326D+01
      3   0.117191D+02  0.148474D+01  0.376518D+01  0.666809D+01 -0.532598D+01
      4   0.133476D+02  0.183999D+02 -0.108843D+02  0.540780D+01  0.170978D+02
      5   0.120524D+02 -0.300858D+02  0.621651D+01  0.174608D+02 -0.216322D+02
      6  -0.605487D+01  0.207160D+02  0.376711D+01  0.890249D+01  0.745157D+00
                76            77            78            79            80 
      1  -0.110543D+02  0.213287D+02  0.287689D+02  0.357871D+01  0.294589D+02
      2   0.535433D+01 -0.917759D+01 -0.157957D+02  0.807073D+01 -0.173122D+02
      3   0.569994D+01 -0.121511D+02 -0.129732D+02 -0.116494D+02 -0.121467D+02
      4   0.137921D+02  0.146778D+02  0.121735D+02  0.311869D+02  0.167391D+02
      5   0.289571D+02  0.820995D+01  0.601493D+01 -0.308004D+02  0.389601D+01
      6   0.800489D+01  0.166435D+01 -0.123746D+01 -0.189036D+01 -0.412104D+00
                81            82            83            84            85 
      1  -0.237960D+02 -0.418236D+02  0.158369D+01  0.899857D+01  0.339310D+01
      2   0.165539D+02  0.380481D+02  0.104921D+02 -0.786790D+01  0.100932D+02
      3   0.724216D+01  0.377549D+01 -0.120758D+02 -0.113066D+01 -0.134863D+02
      4  -0.124396D-01  0.183054D+02  0.172065D+02  0.118403D+01  0.244165D+02
      5  -0.116379D+02  0.136016D+02  0.344170D+01  0.228493D+01  0.312923D+01
      6   0.504468D+01  0.197381D+02  0.144181D+00  0.349814D+00  0.205953D+01
                86            87            88            89            90 
      1   0.793117D+01 -0.436167D+01  0.271791D+02  0.116769D+01  0.224799D+02
      2  -0.133008D+01  0.127816D+02 -0.222790D+02  0.107471D+02 -0.183468D+02
      3  -0.660109D+01 -0.841990D+01 -0.490008D+01 -0.119147D+02 -0.413311D+01
      4   0.218318D+01 -0.486745D+01 -0.127163D+01 -0.914256D+01 -0.144405D+02
      5   0.262845D+01 -0.118167D+02 -0.107201D+01 -0.173221D+02 -0.682283D+01
      6  -0.286738D+00 -0.165118D+02 -0.684354D+01 -0.269706D+02 -0.178897D+02
                91            92            93            94            95 
      1  -0.620150D+02  0.652931D+00 -0.336709D+02 -0.102174D+02  0.222764D+02
      2   0.377557D+02 -0.640116D+01  0.811215D+01  0.371365D+01 -0.236884D+02
      3   0.242594D+02  0.574823D+01  0.255587D+02  0.650378D+01  0.141199D+01
      4   0.108071D+01  0.165014D+02 -0.100724D+01  0.100983D+02  0.255112D+02
      5  -0.300212D+02 -0.302944D+01  0.120513D+02 -0.754236D+01  0.283295D+01
      6  -0.311385D+00  0.535970D+01 -0.242557D+00  0.358156D+01  0.763685D+01
                96            97            98            99           100 
      1   0.281311D+01 -0.190803D+02  0.463991D+01  0.182668D+02  0.389369D+02
      2   0.909707D+01  0.377862D+01  0.637529D+00 -0.372116D+01 -0.253210D+02
      3  -0.119102D+02  0.153017D+02 -0.527744D+01 -0.145457D+02 -0.136158D+02
      4   0.281383D+00 -0.415792D+01  0.604782D+01 -0.148966D+02  0.216960D+01
      5  -0.145324D+02  0.139129D+02 -0.126729D+02  0.572895D+01  0.262976D+02
      6   0.225905D+01 -0.255948D+01  0.623728D+01 -0.997628D+01 -0.651893D-01
               101           102           103           104           105 
      1  -0.131907D+01  0.174428D+02 -0.108940D+02  0.328957D+01 -0.817792D+01
      2   0.165817D+01 -0.134557D+02  0.757248D+01 -0.289011D+01  0.630988D+01
      3  -0.339106D+00 -0.398712D+01  0.332148D+01 -0.399458D+00  0.186804D+01
      4   0.619282D+01 -0.178647D+01  0.793360D+01 -0.640759D+01  0.492609D+01
      5  -0.385788D+01  0.224578D+02 -0.111775D+02  0.656416D+01 -0.904354D+01
      6   0.969215D+00  0.133219D+01  0.233056D+01 -0.166489D+01  0.349103D+01
               106           107           108           109           110 
      1   0.272988D+02 -0.510525D+01  0.180007D+02  0.535551D+02  0.156895D+02
      2  -0.229110D+02  0.479048D+01 -0.212567D+02 -0.247723D+02 -0.489461D+01
      3  -0.438781D+01  0.314769D+00  0.325592D+01 -0.287828D+02 -0.107949D+02
      4  -0.214574D+01  0.746469D+01 -0.360086D-01  0.286766D+02  0.159571D+02
      5   0.346536D+02 -0.286695D+01  0.365195D+02 -0.176959D+02 -0.784555D+01
      6   0.140874D+01  0.380045D+01  0.193005D+01 -0.673608D+01 -0.334055D+01
               111           112           113           114           115 
      1  -0.141155D+02  0.169441D+02  0.697365D+01 -0.723036D+01 -0.302200D+02
      2   0.611807D+01 -0.427329D+01  0.216706D+01  0.250168D+01  0.140475D+02
      3   0.799745D+01 -0.126708D+02 -0.914072D+01  0.472868D+01  0.161725D+02
      4  -0.103966D+02  0.208513D+02  0.168090D+02 -0.938596D+01 -0.207140D+02
      5   0.162102D+02 -0.947913D+01 -0.778978D+01  0.595494D+01  0.255221D+02
      6   0.391075D+01 -0.497224D+01 -0.328789D+01  0.462341D+01  0.782162D+01
               116           117           118           119           120 
      1  -0.112863D+02  0.157757D+02  0.950968D+00 -0.550037D+00  0.189032D+01
      2   0.382374D+01 -0.104062D+02 -0.344953D+01  0.199948D+00 -0.219405D+00
      3   0.746259D+01 -0.536943D+01  0.249856D+01  0.350089D+00 -0.167091D+01
      4  -0.157541D+02  0.109448D+02 -0.175288D+01  0.267273D+01 -0.224987D+00
      5   0.811688D+01 -0.193113D+02  0.144768D+01 -0.981962D+00  0.596217D+01
      6   0.538451D+01 -0.719736D+01 -0.152098D+01  0.863159D-01  0.252943D+00
               121           122           123           124           125 
      1   0.190963D+01 -0.679584D+01  0.710925D+01 -0.530244D-01  0.444459D+01
      2  -0.160919D+00  0.166320D+01  0.490366D+00 -0.749284D+00  0.296376D+01
      3  -0.174871D+01  0.513264D+01 -0.759961D+01  0.802309D+00 -0.740835D+01
      4   0.277251D+01 -0.272790D+01  0.259813D+01 -0.355015D+00  0.478098D+01
      5  -0.141765D+01  0.214887D+01 -0.455245D+01  0.532976D+01 -0.301884D+01
      6   0.316118D+00 -0.518513D+01  0.727026D+01 -0.562792D+00  0.583290D+01
               126           127           128           129           130 
      1  -0.193629D+02 -0.814021D+00  0.761494D+01 -0.320787D+01  0.609806D+01
      2  -0.103406D+02  0.272452D+01 -0.106158D+02  0.355452D+01 -0.605631D+01
      3   0.297036D+02 -0.191050D+01  0.300081D+01 -0.346648D+00 -0.417452D-01
      4  -0.400277D+01 -0.185047D+01  0.147851D+01 -0.197517D+01  0.392698D+01
      5   0.106770D+02 -0.157272D+01  0.331338D+00 -0.519313D+00  0.691814D+00
      6  -0.594923D+01 -0.445102D+01  0.112564D+01 -0.232284D+01  0.213776D+00
               131           132           133           134           135 
      1  -0.231720D+02  0.642657D+01 -0.679205D+01  0.132046D+02 -0.113720D+02
      2   0.354041D+02 -0.114167D+02  0.447505D+01 -0.213802D+02  0.126525D+02
      3  -0.122321D+02  0.499012D+01  0.231701D+01  0.817570D+01 -0.128056D+01
      4   0.118641D+02 -0.328654D+01 -0.407215D+01 -0.743396D+01  0.459363D+01
      5  -0.540264D+01  0.546514D+01 -0.211301D+00  0.695848D+01 -0.605874D+01
      6  -0.644088D+01  0.971662D+01 -0.269160D+00  0.115753D+02 -0.815491D+01
               136           137           138           139           140 
      1   0.577070D+01  0.475363D+01  0.345159D+01  0.372266D+01 -0.201668D+02
      2  -0.556402D+01 -0.357712D+01 -0.131359D+01 -0.256307D+01  0.191165D+02
      3  -0.206683D+00 -0.117651D+01 -0.213800D+01 -0.115958D+01  0.105028D+01
      4   0.465030D+01  0.504544D+01  0.492248D+01  0.677747D+01  0.150943D+02
      5   0.303727D+01  0.370266D+01  0.589340D+01  0.338784D+01  0.104071D+02
      6   0.315819D+01 -0.382269D-01  0.938617D-01  0.310633D+01  0.226057D+02
               141           142           143           144           145 
      1  -0.131499D+02 -0.269531D+01 -0.227664D+02 -0.280468D+02 -0.254321D+01
      2   0.858172D+01  0.228004D+01  0.125911D+02  0.621200D+01 -0.470362D+00
      3   0.456821D+01  0.415266D+00  0.101753D+02  0.218348D+02  0.301357D+01
      4   0.103188D+02  0.993596D+01  0.163412D+02  0.156048D+02  0.110237D+01
      5   0.103731D+02  0.105456D+02  0.177967D+02  0.223481D+02 -0.201868D+01
      6   0.212727D+02  0.799614D+01  0.314446D+02  0.355026D+02 -0.184759D+01
               146           147           148           149           150 
      1   0.264787D+01 -0.547875D+01  0.373106D+01 -0.133279D+02  0.991936D+01
      2  -0.246227D+00  0.141844D+01 -0.171475D+01  0.505988D+01  0.339155D+01
      3  -0.240164D+01  0.406031D+01 -0.201631D+01  0.826800D+01 -0.133109D+02
      4  -0.450814D-01  0.717206D+00  0.154514D+00  0.184019D+02 -0.820166D+01
      5  -0.948722D+00  0.378118D+01 -0.340283D+01 -0.542428D+01  0.839635D+01
      6   0.417213D+01 -0.206302D+01  0.275627D+01 -0.220416D+02  0.128858D+02
               151           152           153           154           155 
      1  -0.276639D+01  0.668979D+01 -0.672637D+01  0.239131D+02 -0.428956D+01
      2   0.128215D+01  0.127435D+01 -0.249573D+01 -0.229701D+02  0.336276D+01
      3   0.148423D+01 -0.796414D+01  0.922210D+01 -0.943000D+00  0.926805D+00
      4   0.452385D+00 -0.488236D+01  0.458351D+01 -0.125645D+02  0.937032D+01
      5   0.415357D+01  0.320978D+01 -0.348237D+01 -0.401808D+02  0.954428D+01
      6  -0.157454D+01  0.108110D+02 -0.768836D+01  0.869470D+01 -0.644527D+01
               156           157           158           159           160 
      1  -0.862429D+01 -0.474039D+01  0.156108D+00 -0.708302D+00 -0.713469D+01
      2   0.186816D+02  0.386038D+01 -0.187000D+01 -0.342444D+01  0.148426D+02
      3  -0.100573D+02  0.880012D+00  0.171389D+01  0.413274D+01 -0.770792D+01
      4   0.773415D+01  0.880257D+01 -0.567742D+01 -0.792144D+01  0.547891D+01
      5   0.349292D+02  0.103313D+02 -0.880354D+01 -0.975108D+01  0.263613D+02
      6  -0.669145D+01 -0.593677D+01  0.450152D+01  0.875798D+01 -0.496071D+01
               161           162           163           164           165 
      1  -0.328111D+00  0.150551D+01 -0.107832D+02 -0.101043D+02 -0.146124D+02
      2  -0.229241D+01 -0.155895D+02  0.236162D+01  0.511032D+01  0.771098D+00
      3   0.262053D+01  0.140840D+02  0.842154D+01  0.499394D+01  0.138413D+02
      4  -0.458605D+01 -0.651920D+01  0.362505D+00 -0.133832D+01 -0.228933D+00
      5  -0.661674D+01 -0.274685D+02  0.756534D+01  0.446942D+01  0.342818D+01
      6   0.627716D+01  0.694757D+01  0.819151D+01  0.972410D+01  0.697908D+01
               166           167           168           169           170 
      1  -0.949113D+01 -0.138211D+02 -0.103015D+02 -0.803676D+01 -0.580349D+01
      2   0.527121D+01  0.791853D+01  0.508630D+00  0.814783D+00 -0.258220D+00
      3   0.421992D+01  0.590253D+01  0.979288D+01  0.722197D+01  0.606171D+01
      4   0.230862D-02 -0.187163D+01 -0.320228D+01 -0.282776D-01 -0.161904D+01
      5   0.628088D+01  0.111042D+01 -0.211314D+01  0.592996D+01  0.210816D-01
      6   0.686683D+01  0.104808D+02  0.107278D+02  0.399167D+01  0.727785D+01
               171           172           173           174           175 
      1  -0.930721D+01  0.488508D+01 -0.506092D+01  0.383450D+01 -0.791079D+00
      2  -0.172505D+01 -0.170856D+01  0.262130D+01 -0.291427D+01  0.723972D-01
      3   0.110323D+02 -0.317653D+01  0.243962D+01 -0.920226D+00  0.718682D+00
      4  -0.157525D+01 -0.893790D+01  0.598397D+01 -0.416326D+01  0.391502D+01
      5   0.703437D+00  0.669594D+01 -0.246220D+01  0.107395D+02 -0.101927D+01
      6   0.670329D+01 -0.314653D+01  0.162314D+01 -0.502366D+01  0.197679D+01
               176           177           178           179           180 
      1  -0.345085D+01  0.321287D+01  0.455385D+01  0.469661D+01 -0.538058D+01
      2   0.287853D+01 -0.416695D+01 -0.375499D+01 -0.626108D+01 -0.729862D+01
      3   0.572317D+00  0.954087D+00 -0.798855D+00  0.156447D+01  0.126792D+02
      4  -0.236044D+01  0.555645D+01 -0.889656D+01  0.123567D+02 -0.146532D+02
      5   0.513038D+01 -0.360362D+01  0.158196D+02 -0.114753D+02  0.386995D+02
      6  -0.479422D+01  0.834467D+01 -0.929646D+01  0.131296D+02 -0.300114D+02
               181           182           183           184           185 
      1  -0.141739D+02 -0.246091D+02 -0.547960D+01 -0.147928D+02 -0.271972D+02
      2   0.150265D+02  0.289815D+02  0.419803D+01  0.150021D+02  0.364466D+02
      3  -0.852628D+00 -0.437239D+01  0.128157D+01 -0.209360D+00 -0.924941D+01
      4   0.473294D+01 -0.117407D+01  0.260716D+01  0.507579D+01 -0.722740D+01
      5  -0.307823D+01 -0.638500D+00 -0.121751D+01 -0.801364D+00 -0.315637D+01
      6   0.331714D+01  0.144344D+01  0.504846D+01  0.918234D+00  0.351371D+01
               186           187           188           189           190 
      1  -0.429010D+01 -0.572718D+01 -0.573047D+01 -0.577832D+01  0.437358D+02
      2   0.571639D+01  0.298078D+01  0.847504D+01  0.496671D+01 -0.107516D+02
      3  -0.142629D+01  0.274639D+01 -0.274457D+01  0.811607D+00 -0.329842D+02
      4  -0.148756D+01  0.376587D+01 -0.440340D+01 -0.219662D+01 -0.486838D+02
      5  -0.297687D+01  0.131669D+01 -0.342672D+01  0.966784D+00 -0.149249D+02
      6   0.609970D+01  0.179832D+01  0.750930D+01  0.165329D+01  0.942692D+01
               191           192           193           194           195 
      1  -0.160830D+02 -0.119782D+02 -0.122101D+02  0.407690D+01  0.121415D+01
      2  -0.164287D+01  0.420851D+01 -0.107311D+01  0.787928D+01  0.333706D+01
      3   0.177258D+02  0.776973D+01  0.132832D+02 -0.119562D+02 -0.455120D+01
      4   0.314973D+02  0.128354D+02  0.230033D+02 -0.198343D+02 -0.826402D+01
      5   0.606884D+01  0.132994D+02  0.545428D+01 -0.580993D+01 -0.428353D+01
      6  -0.508148D+01 -0.887694D+01 -0.377931D+01  0.563276D+01  0.504913D+01
               196           197           198           199           200 
      1  -0.152514D+02  0.294986D+01  0.703320D+01 -0.919617D+00 -0.201147D+01
      2   0.338087D+01  0.544976D+01 -0.304472D+01  0.168775D+01  0.167110D+01
      3   0.118705D+02 -0.839963D+01 -0.398847D+01 -0.768130D+00  0.340370D+00
      4   0.215015D+02 -0.171970D+02 -0.135566D+02 -0.172974D+01  0.201469D+01
      5   0.153238D+02 -0.871509D+01 -0.984756D+01  0.297439D+01 -0.145034D+01
      6  -0.107344D+02  0.762974D+01  0.647188D+01 -0.244371D-01  0.410420D+00
               201           202           203           204           205 
      1   0.169720D+01 -0.217652D+01 -0.264684D+01  0.590236D+01  0.319546D+01
      2  -0.129831D+01 -0.182569D+01  0.316349D+01 -0.346900D+01 -0.300488D+01
      3  -0.398891D+00  0.400221D+01 -0.516650D+00 -0.243337D+01 -0.190582D+00
      4  -0.215151D+01  0.156688D+01 -0.197686D+01  0.314492D+01 -0.228947D+01
      5   0.415063D+01 -0.995644D+00  0.136216D+01 -0.243176D+01  0.354007D+01
      6  -0.332853D+00 -0.109969D-01 -0.447661D+01  0.375798D+01 -0.669090D+00
               206           207           208           209           210 
      1   0.633475D+01 -0.670268D+01 -0.831948D+00  0.181749D+01 -0.291238D+01
      2  -0.522078D+01  0.153483D+01 -0.102215D+01 -0.883805D+00  0.694409D+00
      3  -0.111396D+01  0.516785D+01  0.185410D+01 -0.933680D+00  0.221797D+01
      4   0.370063D+01 -0.446928D+01  0.176241D+01  0.245213D+01 -0.231671D+01
      5  -0.369587D+01  0.538284D+01 -0.265090D+01 -0.255555D+01  0.532620D+01
      6   0.413988D+01 -0.649041D+01 -0.254944D+01  0.116394D+00  0.275883D+00
               211           212           213           214           215 
      1   0.299564D+01 -0.964172D+01  0.103918D+02 -0.316028D+01  0.986025D+01
      2  -0.373053D+01  0.407731D+01 -0.104771D+01  0.179967D+01 -0.221220D+01
      3   0.734894D+00  0.556441D+01 -0.934413D+01  0.136060D+01 -0.764805D+01
      4   0.336449D+00  0.561904D+01 -0.578901D+01 -0.286088D+01 -0.559073D+01
      5  -0.359850D+01 -0.695304D+01  0.992726D+01  0.338323D+01  0.819590D+01
      6  -0.270554D+00 -0.807406D+01  0.855336D+01  0.174265D+01  0.902606D+01
               216           217           218           219           220 
      1  -0.218578D+02  0.413722D+01 -0.921318D+01  0.458219D+01 -0.108256D+02
      2  -0.316821D+01  0.360802D-01  0.780766D+01 -0.919524D+00  0.447007D+01
      3   0.250260D+02 -0.417330D+01  0.140553D+01 -0.366267D+01  0.635551D+01
      4   0.702341D+01 -0.319839D+01 -0.338341D+01  0.155882D+01  0.866103D+01
      5  -0.191260D+02  0.500304D+00 -0.613555D-01 -0.389296D+01 -0.703446D+01
      6  -0.116219D+02 -0.132360D+01 -0.306224D+01  0.165205D+01  0.217126D+01
               221           222           223           224           225 
      1  -0.212595D+02  0.151079D+01  0.296292D+01  0.980577D+00 -0.608916D+01
      2   0.340238D+02 -0.921543D+00 -0.172913D+01  0.239726D+01  0.275316D+01
      3  -0.127643D+02 -0.589249D+00 -0.123379D+01 -0.337784D+01  0.333600D+01
      4  -0.474551D+02  0.683557D+01  0.225103D+01 -0.283992D+01 -0.339407D+01
      5   0.432452D+01 -0.981540D+01  0.449494D+00 -0.355665D+01  0.144862D+01
      6  -0.164629D+02  0.746536D+01 -0.483006D-01  0.509961D+01 -0.916591D+00
               226           227           228           229           230 
      1  -0.425454D+01  0.392079D+01  0.171038D+02  0.524961D+01 -0.929112D+01
      2  -0.195943D+01 -0.474287D-01  0.874459D+00 -0.242758D+01  0.345911D+01
      3   0.621396D+01 -0.387336D+01 -0.179783D+02 -0.282203D+01  0.583201D+01
      4   0.420728D+01 -0.534649D+01 -0.742172D+00 -0.111293D+01  0.163491D+01
      5   0.994845D+00  0.992944D+00 -0.977086D+01  0.266817D+01  0.488819D+01
      6   0.153856D+01 -0.341333D+01 -0.550371D+00 -0.125438D+01  0.303461D+01
               231           232           233           234           235 
      1  -0.699849D+01  0.174082D+02 -0.528435D+01 -0.250736D+02  0.866620D+02
      2  -0.400305D+01 -0.612421D+01 -0.163188D+01 -0.103897D+02 -0.482829D+02
      3   0.110015D+02 -0.112840D+02  0.691624D+01  0.354633D+02 -0.383791D+02
      4   0.654997D+01 -0.389060D+01  0.703654D+01  0.590313D+01 -0.134843D+02
      5   0.110934D+02  0.287793D+01  0.405055D+01  0.278121D+02  0.430522D+02
      6   0.685550D+01 -0.133420D+01  0.523764D+01  0.228987D+01 -0.131352D+01
               236           237           238           239           240 
      1  -0.349064D+01  0.223034D+02  0.465153D+01  0.660841D+01  0.119568D+01
      2   0.644890D+00 -0.158121D+02 -0.342546D+01 -0.187495D+01 -0.193059D+01
      3   0.284575D+01 -0.649136D+01 -0.122606D+01 -0.473346D+01  0.734911D+00
      4   0.120526D+02 -0.349796D+01  0.107318D+02 -0.293290D+01  0.366319D+01
      5  -0.169663D+01  0.233838D+02  0.294312D+01  0.468554D+01  0.324819D+01
      6   0.359041D+01 -0.165438D+01  0.371453D+01 -0.605937D+00  0.215994D+01
               241           242           243 
      1   0.125508D+02 -0.506188D+00  0.934056D+01
      2  -0.105610D+02 -0.275161D+00 -0.944308D+01
      3  -0.198975D+01  0.781349D+00  0.102519D+00
      4  -0.158561D+01  0.179154D+01 -0.311737D+00
      5   0.181019D+02  0.450908D+00  0.129975D+02
      6  -0.199388D+01  0.165631D+01 -0.372413D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163817D+01      0.416382D+01      0.138890D+02
   x         -0.142079D+01     -0.361129D+01     -0.120460D+02
   y         -0.559810D+00     -0.142290D+01     -0.474627D+01
   z          0.592931D+00      0.150708D+01      0.502708D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124675D+03      0.184750D+02      0.205562D+02
   aniso      0.564984D+02      0.837220D+01      0.931533D+01
   xx         0.160911D+03      0.238446D+02      0.265307D+02
   yx         0.713297D+01      0.105700D+01      0.117607D+01
   yy         0.105896D+03      0.156922D+02      0.174600D+02
   zx        -0.302959D+01     -0.448939D+00     -0.499512D+00
   zy        -0.433052D+01     -0.641716D+00     -0.714006D+00
   zz         0.107218D+03      0.158881D+02      0.176779D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.133169D+03      0.197336D+02      0.219566D+02
   aniso      0.665585D+02      0.986295D+01      0.109740D+02
   xx         0.175843D+03      0.260572D+02      0.289926D+02
   yx         0.862174D+01      0.127761D+01      0.142153D+01
   yy         0.111304D+03      0.164935D+02      0.183515D+02
   zx        -0.388703D+01     -0.575999D+00     -0.640885D+00
   zy        -0.460051D+01     -0.681726D+00     -0.758522D+00
   zz         0.112360D+03      0.166501D+02      0.185257D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.18569029          2.26617479          3.86341438
     6         -1.52478087          1.59859844          3.15051310
     6         -1.70558151         -0.57666835          1.11415937
     6          0.38071603         -0.92563591         -0.71285071
     6          0.14955821         -0.75020823         -3.22088673
     6          2.22498990         -1.06106902         -5.05935212
     8          1.80303493         -0.84461916         -7.30959806
     6         -3.02243252          3.96209596          2.51982184
     6         -2.72578551         -0.26616487          5.07796658
     6         -2.01488489         -2.48410643          3.32041013
     6          4.86277604         -1.64476468         -4.11112344
     1         -4.76685194         -0.01211955          5.21203914
     1         -1.93490783         -0.26780779          6.98037607
     1         -3.49093476         -0.37252728          0.10074277
     1         -0.21510625         -3.34407215          3.83834488
     1         -3.39927397         -3.98214511          3.04978770
     1          2.29468081          0.59672405          4.35131083
     1          1.19161723          3.51705057          5.50527855
     1          2.14671852          3.24160540          2.31904974
     1         -4.97617711          3.50182413          2.04331605
     1         -2.18976920          4.95447003          0.91073270
     1         -3.04816671          5.26681751          4.12150466
     1          2.22352179         -1.33801290          0.08955930
     1         -1.67030631         -0.34625291         -4.07562234
     1          4.88478415         -3.40901752         -3.04108840
     1          5.53920061         -0.15172936         -2.85746655
     1          6.12509274         -1.80735402         -5.72352153

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163817D+01      0.416382D+01      0.138890D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.163817D+01      0.416382D+01      0.138890D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124675D+03      0.184750D+02      0.205562D+02
   aniso      0.564984D+02      0.837220D+01      0.931533D+01
   xx         0.115809D+03      0.171612D+02      0.190944D+02
   yx        -0.471416D+01     -0.698566D+00     -0.777259D+00
   yy         0.103563D+03      0.153464D+02      0.170752D+02
   zx        -0.172788D+02     -0.256045D+01     -0.284888D+01
   zy         0.563065D+01      0.834377D+00      0.928369D+00
   zz         0.154654D+03      0.229174D+02      0.254990D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.133169D+03      0.197336D+02      0.219566D+02
   aniso      0.665585D+02      0.986295D+01      0.109740D+02
   xx         0.122072D+03      0.180892D+02      0.201270D+02
   yx        -0.520418D+01     -0.771179D+00     -0.858053D+00
   yy         0.108756D+03      0.161160D+02      0.179315D+02
   zx        -0.203996D+02     -0.302291D+01     -0.336344D+01
   zy         0.658953D+01      0.976467D+00      0.108647D+01
   zz         0.168679D+03      0.249956D+02      0.278114D+02

 ----------------------------------------------------------------------
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 A SLIP OF THE FOOT YOU MAY SOON RECOVER, BUT A SLIP OF THE TONGUE
 YOU MAY NEVER GET OVER. -- BEN FRANKLIN
 Job cpu time:       0 days  3 hours  8 minutes 51.2 seconds.
 Elapsed time:       0 days  0 hours 23 minutes 40.7 seconds.
 File lengths (MBytes):  RWF=    397 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Sun Sep 26 20:11:16 2021.
